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

Systemtic Name: ethyl 1,3-bis(benzimidazol-1-ylmethyl)-6-methyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 1,3-bis(benzimidazol-1-ylmethyl)-6-methyl-4-phenyl-2-thioxo-4H-pyrimidine-5-carboxylate CAS Name: 1,3-bis(1-benzimidazolylmethyl)-6-methyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1,3-bis(benzimidazol-1-ylmethyl)-6-methyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Traditional Name: 1,3-bis(benzimidazol-1-ylmethyl)-6-methyl-4-phenyl-2-thioxo-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C30H28N6O2S MolecularWeight: 536.64732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28N6O2S/c1-3-38-29(37)27-21(2)35(19-33-17-31-23-13-7-9-15-25(23)33)30(39)36(28(27)22-11-5-4-6-12-22)20-34-18-32-24-14-8-10-16-26(24)34/h4-18,28H,3,19-20H2,1-2H3