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

Systemtic Name: ethyl 1,3-bis(benzimidazol-1-ylmethyl)-4-(2-hydroxyphenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 1,3-bis(benzimidazol-1-ylmethyl)-4-(2-hydroxyphenyl)-6-methyl-2-thioxo-4H-pyrimidine-5-carboxylate CAS Name: 1,3-bis(1-benzimidazolylmethyl)-4-(2-hydroxyphenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1,3-bis(benzimidazol-1-ylmethyl)-4-(2-hydroxyphenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Traditional Name: 1,3-bis(benzimidazol-1-ylmethyl)-4-(2-hydroxyphenyl)-6-methyl-2-thioxo-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C30H28N6O3S MolecularWeight: 552.64672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC=CC=C2O)CN3C=NC4=CC=CC=C43)CN5C=NC6=CC=CC=C65)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC=CC=C2O)CN3C=NC4=CC=CC=C43)CN5C=NC6=CC=CC=C65)C

InChI

InChI=1S/C30H28N6O3S/c1-3-39-29(38)27-20(2)35(18-33-16-31-22-11-5-7-13-24(22)33)30(40)36(28(27)21-10-4-9-15-26(21)37)19-34-17-32-23-12-6-8-14-25(23)34/h4-17,28,37H,3,18-19H2,1-2H3