lithium;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-4-methylsulfonylbenzene;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide

C95H83BrCl4ILiN11O30PS5 — CID 159860471

About lithium;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-4-methylsulfonylbenzene;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide

lithium;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-4-methylsulfonylbenzene;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide (PubChem CID 159860471) has the molecular formula C95H83BrCl4ILiN11O30PS5 and a molecular weight of 2405.63 g/mol. Its IUPAC name is lithium;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-4-methylsulfonylbenzene;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide.

Molecular Properties

• Compound Name: lithium;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-4-methylsulfonylbenzene;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide
• PubChem CID: 159860471
• Molecular Formula: C95H83BrCl4ILiN11O30PS5
• Molecular Weight: 2405.63 g/mol
• Exact Mass: 2401.08
• IUPAC Name: lithium;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-4-methylsulfonylbenzene;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide
• SMILES: C.CCOC(=O)c1c(C=O)nc(OC)nc1-c1ccco1.COc1nc(-c2ccco2)c2c(n1)C(Cc1ccc(S(C)(=O)=O)cc1)OC2=O.CS(=O)(=O)c1ccc(CBr)cc1.CS(=O)(=O)c1ccc(CC2OC(=O)c3c(-c4ccco4)nc(=O)[nH]c32)cc1.CS(=O)(=O)c1ccc(CC2OC(=O)c3c(-c4ccco4)nc(Cl)nc32)cc1.CS(=O)(=O)c1ccc(CC2OC(=O)c3c(-c4ccco4)nc(N)nc32)cc1.O=P(Cl)(Cl)Cl.[I-].[Li+]
• InChI: InChI=1S/C19H16N2O6S.C18H13ClN2O5S.C18H15N3O5S.C18H14N2O6S.C13H12N2O5.C8H9BrO2S.CH4.Cl3OP.HI.Li/c1-25-19-20-16(13-4-3-9-26-13)15-17(21-19)14(27-18(15)22)10-11-5-7-12(8-6-11)28(2,23)24;2*1-27(23,24)11-6-4-10(5-7-11)9-13-16-14(17(22)26-13)15(20-18(19)21-16)12-3-2-8-25-12;1-27(23,24)11-6-4-10(5-7-11)9-13-16-14(17(21)26-13)15(19-18(22)20-16)12-3-2-8-25-12;1-3-19-12(17)10-8(7-16)14-13(18-2)15-11(10)9-5-4-6-20-9;1-12(10,11)8-4-2-7(6-9)3-5-8;;1-5(2,3)4;;/h3-9,14H,10H2,1-2H3;2-8,13H,9H2,1H3;2-8,13H,9H2,1H3,(H2,19,20,21);2-8,13H,9H2,1H3,(H,19,20,22);4-7H,3H2,1-2H3;2-5H,6H2,1H3;1H4;;1H;/q;;;;;;;;;+1/p-1
• InChIKey: NRBQGLFSAFTCDG-UHFFFAOYSA-M
• XLogP: 11.09
• TPSA: 595.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 40
• Rotatable Bonds: 24
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2405.63
LogP ≤ 5	11.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-4-methylsulfonylbenzene;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide?

The IUPAC name of lithium;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-4-methylsulfonylbenzene;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide (CID 159860471) is lithium;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-4-methylsulfonylbenzene;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide.

What is the SMILES notation for lithium;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-4-methylsulfonylbenzene;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide?

The canonical SMILES for lithium;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-4-methylsulfonylbenzene;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide is C.CCOC(=O)c1c(C=O)nc(OC)nc1-c1ccco1.COc1nc(-c2ccco2)c2c(n1)C(Cc1ccc(S(C)(=O)=O)cc1)OC2=O.CS(=O)(=O)c1ccc(CBr)cc1.CS(=O)(=O)c1ccc(CC2OC(=O)c3c(-c4ccco4)nc(=O)[nH]c32)cc1.CS(=O)(=O)c1ccc(CC2OC(=O)c3c(-c4ccco4)nc(Cl)nc32)cc1.CS(=O)(=O)c1ccc(CC2OC(=O)c3c(-c4ccco4)nc(N)nc32)cc1.O=P(Cl)(Cl)Cl.[I-].[Li+].

What is the InChIKey of lithium;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-4-methylsulfonylbenzene;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide?

The InChIKey is NRBQGLFSAFTCDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16N2O6S.C18H13ClN2O5S.C18H15N3O5S.C18H14N2O6S.C13H12N2O5.C8H9BrO2S.CH4.Cl3OP.HI.Li/c1-25-19-20-16(13-4-3-9-26-13)15-17(21-19)14(27-18(15)22)10-11-5-7-12(8-6-11)28(2,23)24;2*1-27(23,24)11-6-4-10(5-7-11)9-13-16-14(17(22)26-13)15(20-18(19)21-16)12-3-2-8-25-12;1-27(23,24)11-6-4-10(5-7-11)9-13-16-14(17(21)26-13)15(19-18(22)20-16)12-3-2-8-25-12;1-3-19-12(17)10-8(7-16)14-13(18-2)15-11(10)9-5-4-6-20-9;1-12(10,11)8-4-2-7(6-9)3-5-8;;1-5(2,3)4;;/h3-9,14H,10H2,1-2H3;2-8,13H,9H2,1H3;2-8,13H,9H2,1H3,(H2,19,20,21);2-8,13H,9H2,1H3,(H,19,20,22);4-7H,3H2,1-2H3;2-5H,6H2,1H3;1H4;;1H;/q;;;;;;;;;+1/p-1.

What are the key properties of lithium;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-4-methylsulfonylbenzene;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide?

lithium;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-4-methylsulfonylbenzene;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide has a molecular weight of 2405.63 g/mol, XLogP of 11.09, 24 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-amino-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-4-methylsulfonylbenzene;2-chloro-4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[(4-methylsulfonylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[(4-methylsulfonylphenyl)methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide is sourced from PubChem (CID 159860471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).