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

Systemtic Name: ethyl 1,3-bis(benzimidazol-1-ylmethyl)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 1,3-bis(benzimidazol-1-ylmethyl)-4-(4-methoxyphenyl)-6-methyl-2-thioxo-4H-pyrimidine-5-carboxylate CAS Name: 1,3-bis(1-benzimidazolylmethyl)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1,3-bis(benzimidazol-1-ylmethyl)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Traditional Name: 1,3-bis(benzimidazol-1-ylmethyl)-4-(4-methoxyphenyl)-6-methyl-2-thioxo-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C31H30N6O3S MolecularWeight: 566.6733

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30N6O3S/c1-4-40-30(38)28-21(2)36(19-34-17-32-24-9-5-7-11-26(24)34)31(41)37(29(28)22-13-15-23(39-3)16-14-22)20-35-18-33-25-10-6-8-12-27(25)35/h5-18,29H,4,19-20H2,1-3H3