[(2R,3S,5R)-3-(4-chlorophenyl)carbonyloxy-5-[4-[(E)-dimethylaminomethylideneamino]-7-oxidanylidene-2,6-diphenyl-pteridin-8-yl]oxolan-2-yl]methyl 4-chloranylbenzoate

Systemtic Name: [(2R,3S,5R)-3-(4-chlorophenyl)carbonyloxy-5-[4-[(E)-dimethylaminomethylideneamino]-7-oxidanylidene-2,6-diphenyl-pteridin-8-yl]oxolan-2-yl]methyl 4-chloranylbenzoate Openeye Name: [(2R,3S,5R)-3-(4-chlorobenzoyl)oxy-5-[4-[(E)-dimethylaminomethyleneamino]-7-oxo-2,6-diphenyl-pteridin-8-yl]tetrahydrofuran-2-yl]methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(2R,3S,5R)-3-[(4-chlorophenyl)-oxomethoxy]-5-[4-[(E)-dimethylaminomethylideneamino]-7-oxo-2,6-diphenyl-8-pteridinyl]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-3-(4-chlorobenzoyl)oxy-5-[4-[(E)-dimethylaminomethylideneamino]-7-oxo-2,6-diphenylpteridin-8-yl]oxolan-2-yl]methyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(2R,3S,5R)-3-(4-chlorobenzoyl)oxy-5-[4-[(E)-dimethylaminomethyleneamino]-7-keto-2,6-diphenyl-pteridin-8-yl]tetrahydrofuran-2-yl]methyl ester Formula: C40H32Cl2N6O6 MolecularWeight: 763.62468

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NC1=C2C(=NC(=N1)C3=CC=CC=C3)N(C(=O)C(=N2)C4=CC=CC=C4)C5CC(C(O5)COC(=O)C6=CC=C(C=C6)Cl)OC(=O)C7=CC=C(C=C7)Cl

Isomeric SMILES

CN(C)/C=N/C1=C2C(=NC(=N1)C3=CC=CC=C3)N(C(=O)C(=N2)C4=CC=CC=C4)[C@H]5C[C@@H]([C@H](O5)COC(=O)C6=CC=C(C=C6)Cl)OC(=O)C7=CC=C(C=C7)Cl

InChI

InChI=1S/C40H32Cl2N6O6/c1-47(2)23-43-36-34-37(46-35(45-36)25-11-7-4-8-12-25)48(38(49)33(44-34)24-9-5-3-6-10-24)32-21-30(54-40(51)27-15-19-29(42)20-16-27)31(53-32)22-52-39(50)26-13-17-28(41)18-14-26/h3-20,23,30-32H,21-22H2,1-2H3/b43-23+/t30-,31+,32+/m0/s1