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

Systemtic Name: ethyl 4-(4-methoxyphenyl)-6-methyl-1,3-bis[(2-methylbenzimidazol-1-yl)methyl]-2-sulfanylidene-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-6-methyl-1,3-bis[(2-methylbenzimidazol-1-yl)methyl]-2-thioxo-4H-pyrimidine-5-carboxylate CAS Name: 4-(4-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-methoxyphenyl)-6-methyl-1,3-bis[(2-methylbenzimidazol-1-yl)methyl]-2-sulfanylidene-4H-pyrimidine-5-carboxylate Traditional Name: 4-(4-methoxyphenyl)-6-methyl-1,3-bis[(2-methylbenzimidazol-1-yl)methyl]-2-thioxo-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C33H34N6O3S MolecularWeight: 594.72646

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H34N6O3S/c1-6-42-32(40)30-21(2)36(19-37-22(3)34-26-11-7-9-13-28(26)37)33(43)39(31(30)24-15-17-25(41-5)18-16-24)20-38-23(4)35-27-12-8-10-14-29(27)38/h7-18,31H,6,19-20H2,1-5H3