carbanide;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methoxyethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]-6-methylpyrimidine-5-carboxylate;1-fluoro-4-nitrobenzene;methane;methanol;2-methoxyethanol;4-(2-methoxyethoxy)aniline;1-(2-methoxyethoxy)-4-nitrobenzene;palladium;selenium dioxide

C134H154ClF9N13O31PdSe- — CID 157410753

IUPACcarbanide;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methoxyethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]-6-methylpyrimidine-5-carboxylate;1-fluoro-4-nitrobenzene;methane;methanol;2-methoxyethanol;4-(2-methoxyethoxy)aniline;1-(2-methoxyethoxy)-4-nitrobenzene;palladium;selenium dioxide
SMILESC.C.C.CCOC(=O)c1c(C)nc(-c2c(F)cccc2F)nc1Cc1ccc(OCCOC)cc1.CCOC(=O)c1c(C)nc(-c2c(F)cccc2F)nc1Cl.CCOC(=O)c1c(C=O)nc(-c2c(F)cccc2F)nc1Cc1ccc(OCCOC)cc1.CO.COCCO.COCCOc1ccc(Cc2nc(-c3c(F)cccc3F)nc3c2C(=O)N(Cc2ccc(OC)cc2OC)C3)cc1.COCCOc1ccc(N)cc1.COCCOc1ccc([N+](=O)[O-])cc1.COc1ccc(CN)c(OC)c1.O=[N+]([O-])c1ccc(F)cc1.O=[Se]=O.[CH3-].[Pd]
InChIInChI=1S/C31H29F2N3O5.C24H22F2N2O5.C24H24F2N2O4.C14H11ClF2N2O2.C9H11NO4.2C9H13NO2.C6H4FNO2.C3H8O2.CH4O.3CH4.CH3.O2Se.Pd/c1-38-13-14-41-21-10-7-19(8-11-21)15-25-29-26(35-30(34-25)28-23(32)5-4-6-24(28)33)18-36(31(29)37)17-20-9-12-22(39-2)16-27(20)40-3;1-3-32-24(30)22-19(13-15-7-9-16(10-8-15)33-12-11-31-2)27-23(28-20(22)14-29)21-17(25)5-4-6-18(21)26;1-4-31-24(29)21-15(2)27-23(22-18(25)6-5-7-19(22)26)28-20(21)14-16-8-10-17(11-9-16)32-13-12-30-3;1-3-21-14(20)10-7(2)18-13(19-12(10)15)11-8(16)5-4-6-9(11)17;1-13-6-7-14-9-4-2-8(3-5-9)10(11)12;1-11-8-4-3-7(6-10)9(5-8)12-2;1-11-6-7-12-9-4-2-8(10)3-5-9;7-5-1-3-6(4-2-5)8(9)10;1-5-3-2-4;1-2;;;;;1-3-2;/h4-12,16H,13-15,17-18H2,1-3H3;4-10,14H,3,11-13H2,1-2H3;5-11H,4,12-14H2,1-3H3;4-6H,3H2,1-2H3;2-5H,6-7H2,1H3;3-5H,6,10H2,1-2H3;2-5H,6-7,10H2,1H3;1-4H;4H,2-3H2,1H3;2H,1H3;3*1H4;1H3;;/q;;;;;;;;;;;;;-1;;
InChIKeyXWYJQFKHRPJMEX-UHFFFAOYSA-N
MW2834.58 g/mol
LogP24.10
Rot. Bonds48

About carbanide;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methoxyethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]-6-methylpyrimidine-5-carboxylate;1-fluoro-4-nitrobenzene;methane;methanol;2-methoxyethanol;4-(2-methoxyethoxy)aniline;1-(2-methoxyethoxy)-4-nitrobenzene;palladium;selenium dioxide

carbanide;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methoxyethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]-6-methylpyrimidine-5-carboxylate;1-fluoro-4-nitrobenzene;methane;methanol;2-methoxyethanol;4-(2-methoxyethoxy)aniline;1-(2-methoxyethoxy)-4-nitrobenzene;palladium;selenium dioxide (PubChem CID 157410753) has the molecular formula C134H154ClF9N13O31PdSe- and a molecular weight of 2834.58 g/mol. Its IUPAC name is carbanide;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methoxyethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]-6-methylpyrimidine-5-carboxylate;1-fluoro-4-nitrobenzene;methane;methanol;2-methoxyethanol;4-(2-methoxyethoxy)aniline;1-(2-methoxyethoxy)-4-nitrobenzene;palladium;selenium dioxide.

Molecular Properties

Compound Namecarbanide;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methoxyethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]-6-methylpyrimidine-5-carboxylate;1-fluoro-4-nitrobenzene;methane;methanol;2-methoxyethanol;4-(2-methoxyethoxy)aniline;1-(2-methoxyethoxy)-4-nitrobenzene;palladium;selenium dioxide
PubChem CID157410753
Molecular FormulaC134H154ClF9N13O31PdSe-
Molecular Weight2834.58 g/mol
Exact Mass2832.86
IUPAC Namecarbanide;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methoxyethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]-6-methylpyrimidine-5-carboxylate;1-fluoro-4-nitrobenzene;methane;methanol;2-methoxyethanol;4-(2-methoxyethoxy)aniline;1-(2-methoxyethoxy)-4-nitrobenzene;palladium;selenium dioxide
SMILESC.C.C.CCOC(=O)c1c(C)nc(-c2c(F)cccc2F)nc1Cc1ccc(OCCOC)cc1.CCOC(=O)c1c(C)nc(-c2c(F)cccc2F)nc1Cl.CCOC(=O)c1c(C=O)nc(-c2c(F)cccc2F)nc1Cc1ccc(OCCOC)cc1.CO.COCCO.COCCOc1ccc(Cc2nc(-c3c(F)cccc3F)nc3c2C(=O)N(Cc2ccc(OC)cc2OC)C3)cc1.COCCOc1ccc(N)cc1.COCCOc1ccc([N+](=O)[O-])cc1.COc1ccc(CN)c(OC)c1.O=[N+]([O-])c1ccc(F)cc1.O=[Se]=O.[CH3-].[Pd]
InChIInChI=1S/C31H29F2N3O5.C24H22F2N2O5.C24H24F2N2O4.C14H11ClF2N2O2.C9H11NO4.2C9H13NO2.C6H4FNO2.C3H8O2.CH4O.3CH4.CH3.O2Se.Pd/c1-38-13-14-41-21-10-7-19(8-11-21)15-25-29-26(35-30(34-25)28-23(32)5-4-6-24(28)33)18-36(31(29)37)17-20-9-12-22(39-2)16-27(20)40-3;1-3-32-24(30)22-19(13-15-7-9-16(10-8-15)33-12-11-31-2)27-23(28-20(22)14-29)21-17(25)5-4-6-18(21)26;1-4-31-24(29)21-15(2)27-23(22-18(25)6-5-7-19(22)26)28-20(21)14-16-8-10-17(11-9-16)32-13-12-30-3;1-3-21-14(20)10-7(2)18-13(19-12(10)15)11-8(16)5-4-6-9(11)17;1-13-6-7-14-9-4-2-8(3-5-9)10(11)12;1-11-8-4-3-7(6-10)9(5-8)12-2;1-11-6-7-12-9-4-2-8(10)3-5-9;7-5-1-3-6(4-2-5)8(9)10;1-5-3-2-4;1-2;;;;;1-3-2;/h4-12,16H,13-15,17-18H2,1-3H3;4-10,14H,3,11-13H2,1-2H3;5-11H,4,12-14H2,1-3H3;4-6H,3H2,1-2H3;2-5H,6-7H2,1H3;3-5H,6,10H2,1-2H3;2-5H,6-7,10H2,1H3;1-4H;4H,2-3H2,1H3;2H,1H3;3*1H4;1H3;;/q;;;;;;;;;;;;;-1;;
InChIKeyXWYJQFKHRPJMEX-UHFFFAOYSA-N
XLogP24.10
TPSA570.77 Ų
H-Bond Donors4
H-Bond Acceptors41
Rotatable Bonds48
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002834.58
LogP ≤ 524.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze carbanide;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methoxyethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]-6-methylpyrimidine-5-carboxylate;1-fluoro-4-nitrobenzene;methane;methanol;2-methoxyethanol;4-(2-methoxyethoxy)aniline;1-(2-methoxyethoxy)-4-nitrobenzene;palladium;selenium dioxide with MolForge

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Related Compounds

2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-methyl-6-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-5-carboxylate;4-methoxyaniline
CID 158242521
bis(1-(4-aminophenyl)-2,2,2-trifluoroethanol);bromo acetate;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;4-nitrobenzaldehyde;2,2,2-trifluoro-1-(4-nitrophenyl)ethanol;trimethyl(trifluoromethyl)silane
CID 161082746
2-(4-aminophenyl)-N-ethyl-2-methylpropanamide;carbanide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-[4-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-N-ethyl-2-methylpropanamide;2-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-N-ethyl-2-methylpropanamide;N-ethyl-2-methyl-2-(4-nitrophenyl)propanamide;palladium
CID 157410145
2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methyl-3-oxobutan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[[4-(2-methyl-3-oxobutan-2-yl)phenyl]methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;2-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-2-methylpropanoic acid;(2,4-dimethoxyphenyl)methanamine;ethyl 2-(4-aminophenyl)-2-methylpropanoate;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-methyl-3-oxobutan-2-yl)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-methyl-6-[[4-(2-methyl-3-oxobutan-2-yl)phenyl]methyl]pyrimidine-5-carboxylate;hydrate
CID 157515083
2-(4-aminophenyl)-2,4-dimethyl-1,4-benzoxazin-3-one;carbon dioxide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2,4-dimethyl-2-(4-nitrophenyl)-1,4-benzoxazin-3-one;1-ethyl-4-nitrobenzene;ethyl 2-(4-nitrophenyl)acetate;ethyl 2-(4-nitrophenyl)propanoate;2-fluoro-N-methylaniline;N-(2-fluorophenyl)-N-methyl-2-(4-nitrophenyl)propanamide
CID 157678782
6-(3-aminoanilino)-2-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-methoxyethoxy)anilino]-1H-pyrrolo[3,4-c]pyridin-3-one;(2,4-dimethoxyphenyl)methanamine;2-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-methoxyethoxy)anilino]-6-(3-nitroanilino)-1H-pyrrolo[3,4-c]pyridin-3-one;4-(2-methoxyethoxy)phenol;methyl 2-chloro-4-[4-(2-methoxyethoxy)phenoxy]-6-methylpyrimidine-5-carboxylate;methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 4-formyl-6-[4-(2-methoxyethoxy)phenoxy]-2-(3-nitroanilino)pyrimidine-5-carboxylate;methyl 4-[4-(2-methoxyethoxy)phenoxy]-6-methyl-2-(3-nitroanilino)pyrimidine-5-carboxylate;3-nitroaniline;prop-2-enoyl chloride
CID 157764887
carbanide;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methoxyethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]-6-methylpyrimidine-5-carboxylate;1-fluoro-4-nitrobenzene;methane;methanol;2-methoxyethanol;4-(2-methoxyethoxy)aniline;1-(2-methoxyethoxy)-4-nitrobenzene;palladium;selenium dioxide
CID 157814304
4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-hydroxy-3-oxobutan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;ethyl 2-(4-aminophenyl)-2-hydroxypropanoate;ethyl 2-chloropropanoate;ethyl 2-hydroxy-2-(4-nitrophenyl)propanoate;nitrobenzene
CID 158114060
3-(4-Aminophenyl)pyrrolidin-2-one;2-bromoacetonitrile;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-methyl-6-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]pyrimidine-5-carboxylate;3-(4-nitrophenyl)-4-oxopentanenitrile;1-(4-nitrophenyl)propan-2-one
CID 158441816
4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-hydroxy-3-oxobutan-2-yl)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-2-hydroxypropanoic acid;ethyl 2-(4-aminophenyl)-2-hydroxypropanoate;ethyl 2-chloropropanoate;ethyl 2-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-2-hydroxypropanoate;ethyl 2-hydroxy-2-(4-nitrophenyl)propanoate;nitrobenzene
CID 158592703
3-(4-aminophenyl)-1,3,4-trimethylpiperazin-2-one;1-(2-bromobutan-2-yl)-4-nitrobenzene;1-butan-2-yl-4-nitrobenzene;tris(carbon dioxide);4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;ethanol;N-methylbutan-1-amine;1-nitro-4-propylbenzene;1,3,4-trimethyl-3-(4-nitrophenyl)piperazin-2-one
CID 158594079
2-(aminomethyl)-5-methoxyphenol;4-chloroaniline;4-[(4-chlorophenyl)methyl]-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;4-[(4-chlorophenyl)methyl]-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-2-(2,6-difluorophenyl)-6-formylpyrimidine-5-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 158678338

Frequently Asked Questions

What is the IUPAC name of carbanide;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methoxyethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]-6-methylpyrimidine-5-carboxylate;1-fluoro-4-nitrobenzene;methane;methanol;2-methoxyethanol;4-(2-methoxyethoxy)aniline;1-(2-methoxyethoxy)-4-nitrobenzene;palladium;selenium dioxide?
The IUPAC name of carbanide;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methoxyethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]-6-methylpyrimidine-5-carboxylate;1-fluoro-4-nitrobenzene;methane;methanol;2-methoxyethanol;4-(2-methoxyethoxy)aniline;1-(2-methoxyethoxy)-4-nitrobenzene;palladium;selenium dioxide (CID 157410753) is carbanide;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methoxyethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]-6-methylpyrimidine-5-carboxylate;1-fluoro-4-nitrobenzene;methane;methanol;2-methoxyethanol;4-(2-methoxyethoxy)aniline;1-(2-methoxyethoxy)-4-nitrobenzene;palladium;selenium dioxide.
What is the SMILES notation for carbanide;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methoxyethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]-6-methylpyrimidine-5-carboxylate;1-fluoro-4-nitrobenzene;methane;methanol;2-methoxyethanol;4-(2-methoxyethoxy)aniline;1-(2-methoxyethoxy)-4-nitrobenzene;palladium;selenium dioxide?
The canonical SMILES for carbanide;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methoxyethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]-6-methylpyrimidine-5-carboxylate;1-fluoro-4-nitrobenzene;methane;methanol;2-methoxyethanol;4-(2-methoxyethoxy)aniline;1-(2-methoxyethoxy)-4-nitrobenzene;palladium;selenium dioxide is C.C.C.CCOC(=O)c1c(C)nc(-c2c(F)cccc2F)nc1Cc1ccc(OCCOC)cc1.CCOC(=O)c1c(C)nc(-c2c(F)cccc2F)nc1Cl.CCOC(=O)c1c(C=O)nc(-c2c(F)cccc2F)nc1Cc1ccc(OCCOC)cc1.CO.COCCO.COCCOc1ccc(Cc2nc(-c3c(F)cccc3F)nc3c2C(=O)N(Cc2ccc(OC)cc2OC)C3)cc1.COCCOc1ccc(N)cc1.COCCOc1ccc([N+](=O)[O-])cc1.COc1ccc(CN)c(OC)c1.O=[N+]([O-])c1ccc(F)cc1.O=[Se]=O.[CH3-].[Pd].
What is the InChIKey of carbanide;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methoxyethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]-6-methylpyrimidine-5-carboxylate;1-fluoro-4-nitrobenzene;methane;methanol;2-methoxyethanol;4-(2-methoxyethoxy)aniline;1-(2-methoxyethoxy)-4-nitrobenzene;palladium;selenium dioxide?
The InChIKey is XWYJQFKHRPJMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F2N3O5.C24H22F2N2O5.C24H24F2N2O4.C14H11ClF2N2O2.C9H11NO4.2C9H13NO2.C6H4FNO2.C3H8O2.CH4O.3CH4.CH3.O2Se.Pd/c1-38-13-14-41-21-10-7-19(8-11-21)15-25-29-26(35-30(34-25)28-23(32)5-4-6-24(28)33)18-36(31(29)37)17-20-9-12-22(39-2)16-27(20)40-3;1-3-32-24(30)22-19(13-15-7-9-16(10-8-15)33-12-11-31-2)27-23(28-20(22)14-29)21-17(25)5-4-6-18(21)26;1-4-31-24(29)21-15(2)27-23(22-18(25)6-5-7-19(22)26)28-20(21)14-16-8-10-17(11-9-16)32-13-12-30-3;1-3-21-14(20)10-7(2)18-13(19-12(10)15)11-8(16)5-4-6-9(11)17;1-13-6-7-14-9-4-2-8(3-5-9)10(11)12;1-11-8-4-3-7(6-10)9(5-8)12-2;1-11-6-7-12-9-4-2-8(10)3-5-9;7-5-1-3-6(4-2-5)8(9)10;1-5-3-2-4;1-2;;;;;1-3-2;/h4-12,16H,13-15,17-18H2,1-3H3;4-10,14H,3,11-13H2,1-2H3;5-11H,4,12-14H2,1-3H3;4-6H,3H2,1-2H3;2-5H,6-7H2,1H3;3-5H,6,10H2,1-2H3;2-5H,6-7,10H2,1H3;1-4H;4H,2-3H2,1H3;2H,1H3;3*1H4;1H3;;/q;;;;;;;;;;;;;-1;;.
What are the key properties of carbanide;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methoxyethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]-6-methylpyrimidine-5-carboxylate;1-fluoro-4-nitrobenzene;methane;methanol;2-methoxyethanol;4-(2-methoxyethoxy)aniline;1-(2-methoxyethoxy)-4-nitrobenzene;palladium;selenium dioxide?
carbanide;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methoxyethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]-6-methylpyrimidine-5-carboxylate;1-fluoro-4-nitrobenzene;methane;methanol;2-methoxyethanol;4-(2-methoxyethoxy)aniline;1-(2-methoxyethoxy)-4-nitrobenzene;palladium;selenium dioxide has a molecular weight of 2834.58 g/mol, XLogP of 24.10, 48 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(2-methoxyethoxy)phenyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-chloro-2-(2,6-difluorophenyl)-6-methylpyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-formyl-6-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-5-carboxylate;ethyl 2-(2,6-difluorophenyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]-6-methylpyrimidine-5-carboxylate;1-fluoro-4-nitrobenzene;methane;methanol;2-methoxyethanol;4-(2-methoxyethoxy)aniline;1-(2-methoxyethoxy)-4-nitrobenzene;palladium;selenium dioxide is sourced from PubChem (CID 157410753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).