4-(4-methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione

C120H161N41O6S12 — CID 161296503

IUPAC4-(4-methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione
SMILESCOc1ccc(-c2cnn(CCCSC)c2)cc1.CSCCCCn1cnc2c(N)ncnc21.CSCCCn1cc(-c2ccc(C(C)=O)cc2)cn1.CSCCCn1cc(C)c(=O)[nH]c1=O.CSCCCn1ccc(-c2cccnc2)n1.CSCCCn1ccc(=O)[nH]c1=O.CSCCCn1cnc2cccnc21.CSCCCn1cnc2cncnc21.CSCCn1cnc2c(N)nc(N)nc21.CSCCn1cnc2cccnc21.CSCCn1cnc2cncnc21.CSCCn1ncc2c(N)ncnc21
InChIInChI=1S/C15H18N2OS.C14H18N2OS.C12H15N3S.C10H15N5S.C10H13N3S.C9H12N4S.C9H11N3S.C9H14N2O2S.C8H12N6S.C8H11N5S.C8H10N4S.C8H12N2O2S/c1-12(18)13-4-6-14(7-5-13)15-10-16-17(11-15)8-3-9-19-2;1-17-14-6-4-12(5-7-14)13-10-15-16(11-13)8-3-9-18-2;1-16-9-3-7-15-8-5-12(14-15)11-4-2-6-13-10-11;1-16-5-3-2-4-15-7-14-8-9(11)12-6-13-10(8)15;1-14-7-3-6-13-8-12-9-4-2-5-11-10(9)13;1-14-4-2-3-13-7-12-8-5-10-6-11-9(8)13;1-13-6-5-12-7-11-8-3-2-4-10-9(8)12;1-7-6-11(4-3-5-14-2)9(13)10-8(7)12;1-15-3-2-14-4-11-5-6(9)12-8(10)13-7(5)14;1-14-3-2-13-8-6(4-12-13)7(9)10-5-11-8;1-13-3-2-12-6-11-7-4-9-5-10-8(7)12;1-13-6-2-4-10-5-3-7(11)9-8(10)12/h4-7,10-11H,3,8-9H2,1-2H3;4-7,10-11H,3,8-9H2,1-2H3;2,4-6,8,10H,3,7,9H2,1H3;6-7H,2-5H2,1H3,(H2,11,12,13);2,4-5,8H,3,6-7H2,1H3;5-7H,2-4H2,1H3;2-4,7H,5-6H2,1H3;6H,3-5H2,1-2H3,(H,10,12,13);4H,2-3H2,1H3,(H4,9,10,12,13);4-5H,2-3H2,1H3,(H2,9,10,11);4-6H,2-3H2,1H3;3,5H,2,4,6H2,1H3,(H,9,11,12)
InChIKeyVHATXVNJGBKQFQ-UHFFFAOYSA-N
MW2658.69 g/mol
LogP19.83
Rot. Bonds50

About 4-(4-methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione

4-(4-methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione (PubChem CID 161296503) has the molecular formula C120H161N41O6S12 and a molecular weight of 2658.69 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione
PubChem CID161296503
Molecular FormulaC120H161N41O6S12
Molecular Weight2658.69 g/mol
Exact Mass2656.02
IUPAC Name4-(4-methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione
SMILESCOc1ccc(-c2cnn(CCCSC)c2)cc1.CSCCCCn1cnc2c(N)ncnc21.CSCCCn1cc(-c2ccc(C(C)=O)cc2)cn1.CSCCCn1cc(C)c(=O)[nH]c1=O.CSCCCn1ccc(-c2cccnc2)n1.CSCCCn1ccc(=O)[nH]c1=O.CSCCCn1cnc2cccnc21.CSCCCn1cnc2cncnc21.CSCCn1cnc2c(N)nc(N)nc21.CSCCn1cnc2cccnc21.CSCCn1cnc2cncnc21.CSCCn1ncc2c(N)ncnc21
InChIInChI=1S/C15H18N2OS.C14H18N2OS.C12H15N3S.C10H15N5S.C10H13N3S.C9H12N4S.C9H11N3S.C9H14N2O2S.C8H12N6S.C8H11N5S.C8H10N4S.C8H12N2O2S/c1-12(18)13-4-6-14(7-5-13)15-10-16-17(11-15)8-3-9-19-2;1-17-14-6-4-12(5-7-14)13-10-15-16(11-13)8-3-9-18-2;1-16-9-3-7-15-8-5-12(14-15)11-4-2-6-13-10-11;1-16-5-3-2-4-15-7-14-8-9(11)12-6-13-10(8)15;1-14-7-3-6-13-8-12-9-4-2-5-11-10(9)13;1-14-4-2-3-13-7-12-8-5-10-6-11-9(8)13;1-13-6-5-12-7-11-8-3-2-4-10-9(8)12;1-7-6-11(4-3-5-14-2)9(13)10-8(7)12;1-15-3-2-14-4-11-5-6(9)12-8(10)13-7(5)14;1-14-3-2-13-8-6(4-12-13)7(9)10-5-11-8;1-13-3-2-12-6-11-7-4-9-5-10-8(7)12;1-13-6-2-4-10-5-3-7(11)9-8(10)12/h4-7,10-11H,3,8-9H2,1-2H3;4-7,10-11H,3,8-9H2,1-2H3;2,4-6,8,10H,3,7,9H2,1H3;6-7H,2-5H2,1H3,(H2,11,12,13);2,4-5,8H,3,6-7H2,1H3;5-7H,2-4H2,1H3;2-4,7H,5-6H2,1H3;6H,3-5H2,1-2H3,(H,10,12,13);4H,2-3H2,1H3,(H4,9,10,12,13);4-5H,2-3H2,1H3,(H2,9,10,11);4-6H,2-3H2,1H3;3,5H,2,4,6H2,1H3,(H,9,11,12)
InChIKeyVHATXVNJGBKQFQ-UHFFFAOYSA-N
XLogP19.83
TPSA585.87 Ų
H-Bond Donors6
H-Bond Acceptors57
Rotatable Bonds50
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002658.69
LogP ≤ 519.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N,N-dimethylbenzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide;4-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;3-(1-methylpyrazol-4-yl)-2-pyrrolidin-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 158278593
CID 161411144
CID 161411144
N-(4-methoxyphenyl)-N-[[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-pyridin-3-ylmethyl]-4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 69228792
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-4-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-5-methylpyrazol-1-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 132245315
Methane;4-(4-methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione
CID 157186192
4-Amino-1-(2-methylsulfanylethyl)pyrimidin-2-one;1,2-dimethoxy-4-methylsulfanylbenzene;5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;methylsulfanylbenzene;2-methylsulfanylethoxybenzene;2-methylsulfanylethylbenzene;9-(2-methylsulfanylethyl)purin-6-amine;3-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;2-(2-methylsulfanylethyl)pyridine;1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;2-(2-methylsulfanylethyl)quinoline;3-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;methylsulfanylmethane;methylsulfanylmethylbenzene;3-methylsulfanylpropylbenzene;2-(3-methylsulfanylpropyl)pyridine;4-(3-methylsulfanylpropyl)pyridine
CID 157258195
N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
CID 157399613
1-[4-(3-Amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one
CID 157535742
4-[8-amino-3-(1-but-2-ynoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;(7S)-2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157597606
4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine;N,N-dimethyl-4-[4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]benzamide;6-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(1-methylpyrazol-4-yl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 157597736
1-(3-acetylphenyl)-3-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]pentan-2-one;1-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-4-(furan-2-yl)butan-2-one;1-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-4-(furan-2-yl)butan-2-one;2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(3-prop-1-en-2-ylphenyl)butanamide;4-(furan-2-yl)-1-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butan-2-one;4-(furan-2-yl)-1-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butan-2-one;1-(4-methylphenyl)-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propan-2-one
CID 157600236
4-(8-amino-2-piperidin-4-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;2-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-(1-methylpyrazol-4-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(1-methylpyrazol-4-yl)-2-piperidin-4-ylimidazo[1,2-a]pyrazin-8-amine;5-(1-methylpyrazol-4-yl)-2-pyrrolidin-3-ylimidazo[1,2-a]pyrazin-8-amine;2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;2-piperidin-4-ylimidazo[1,2-a]pyrazin-8-amine;2-pyrrolidin-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 157604593

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 4-(4-methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione (CID 161296503) is 4-(4-methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione is COc1ccc(-c2cnn(CCCSC)c2)cc1.CSCCCCn1cnc2c(N)ncnc21.CSCCCn1cc(-c2ccc(C(C)=O)cc2)cn1.CSCCCn1cc(C)c(=O)[nH]c1=O.CSCCCn1ccc(-c2cccnc2)n1.CSCCCn1ccc(=O)[nH]c1=O.CSCCCn1cnc2cccnc21.CSCCCn1cnc2cncnc21.CSCCn1cnc2c(N)nc(N)nc21.CSCCn1cnc2cccnc21.CSCCn1cnc2cncnc21.CSCCn1ncc2c(N)ncnc21.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione?
The InChIKey is VHATXVNJGBKQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS.C14H18N2OS.C12H15N3S.C10H15N5S.C10H13N3S.C9H12N4S.C9H11N3S.C9H14N2O2S.C8H12N6S.C8H11N5S.C8H10N4S.C8H12N2O2S/c1-12(18)13-4-6-14(7-5-13)15-10-16-17(11-15)8-3-9-19-2;1-17-14-6-4-12(5-7-14)13-10-15-16(11-13)8-3-9-18-2;1-16-9-3-7-15-8-5-12(14-15)11-4-2-6-13-10-11;1-16-5-3-2-4-15-7-14-8-9(11)12-6-13-10(8)15;1-14-7-3-6-13-8-12-9-4-2-5-11-10(9)13;1-14-4-2-3-13-7-12-8-5-10-6-11-9(8)13;1-13-6-5-12-7-11-8-3-2-4-10-9(8)12;1-7-6-11(4-3-5-14-2)9(13)10-8(7)12;1-15-3-2-14-4-11-5-6(9)12-8(10)13-7(5)14;1-14-3-2-13-8-6(4-12-13)7(9)10-5-11-8;1-13-3-2-12-6-11-7-4-9-5-10-8(7)12;1-13-6-2-4-10-5-3-7(11)9-8(10)12/h4-7,10-11H,3,8-9H2,1-2H3;4-7,10-11H,3,8-9H2,1-2H3;2,4-6,8,10H,3,7,9H2,1H3;6-7H,2-5H2,1H3,(H2,11,12,13);2,4-5,8H,3,6-7H2,1H3;5-7H,2-4H2,1H3;2-4,7H,5-6H2,1H3;6H,3-5H2,1-2H3,(H,10,12,13);4H,2-3H2,1H3,(H4,9,10,12,13);4-5H,2-3H2,1H3,(H2,9,10,11);4-6H,2-3H2,1H3;3,5H,2,4,6H2,1H3,(H,9,11,12).
What are the key properties of 4-(4-methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione?
4-(4-methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione has a molecular weight of 2658.69 g/mol, XLogP of 19.83, 50 rotatable bonds, 6 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 161296503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).