ethyl 1,3-bis(benzimidazol-1-ylmethyl)-4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1,3-bis(benzimidazol-1-ylmethyl)-4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 1,3-bis(benzimidazol-1-ylmethyl)-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2-thioxo-4H-pyrimidine-5-carboxylate CAS Name: 1,3-bis(1-benzimidazolylmethyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1,3-bis(benzimidazol-1-ylmethyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Traditional Name: 1,3-bis(benzimidazol-1-ylmethyl)-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2-thioxo-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C31H30N6O4S MolecularWeight: 582.6727

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC(=C(C=C2)O)OC)CN3C=NC4=CC=CC=C43)CN5C=NC6=CC=CC=C65)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC(=C(C=C2)O)OC)CN3C=NC4=CC=CC=C43)CN5C=NC6=CC=CC=C65)C

InChI

InChI=1S/C31H30N6O4S/c1-4-41-30(39)28-20(2)36(18-34-16-32-22-9-5-7-11-24(22)34)31(42)37(19-35-17-33-23-10-6-8-12-25(23)35)29(28)21-13-14-26(38)27(15-21)40-3/h5-17,29,38H,4,18-19H2,1-3H3