ethyl 4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-1,3-bis[(2-methylbenzimidazol-1-yl)methyl]-2-sulfanylidene-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-1,3-bis[(2-methylbenzimidazol-1-yl)methyl]-2-sulfanylidene-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-1,3-bis[(2-methylbenzimidazol-1-yl)methyl]-2-thioxo-4H-pyrimidine-5-carboxylate CAS Name: 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-1,3-bis[(2-methyl-1-benzimidazolyl)methyl]-2-sulfanylidene-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-1,3-bis[(2-methylbenzimidazol-1-yl)methyl]-2-sulfanylidene-4H-pyrimidine-5-carboxylate Traditional Name: 4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-1,3-bis[(2-methylbenzimidazol-1-yl)methyl]-2-thioxo-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C33H34N6O4S MolecularWeight: 610.72586

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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)C)CN5C(=NC6=CC=CC=C65)C)C

Isomeric SMILES

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

InChI

InChI=1S/C33H34N6O4S/c1-6-43-32(41)30-20(2)36(18-37-21(3)34-24-11-7-9-13-26(24)37)33(44)39(31(30)23-15-16-28(40)29(17-23)42-5)19-38-22(4)35-25-12-8-10-14-27(25)38/h7-17,31,40H,6,18-19H2,1-5H3