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

Systemtic Name: ethyl 4-(2-hydroxyphenyl)-6-methyl-1,3-bis[(2-methylbenzimidazol-1-yl)methyl]-2-sulfanylidene-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-hydroxyphenyl)-6-methyl-1,3-bis[(2-methylbenzimidazol-1-yl)methyl]-2-thioxo-4H-pyrimidine-5-carboxylate CAS Name: 4-(2-hydroxyphenyl)-6-methyl-1,3-bis[(2-methyl-1-benzimidazolyl)methyl]-2-sulfanylidene-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-hydroxyphenyl)-6-methyl-1,3-bis[(2-methylbenzimidazol-1-yl)methyl]-2-sulfanylidene-4H-pyrimidine-5-carboxylate Traditional Name: 4-(2-hydroxyphenyl)-6-methyl-1,3-bis[(2-methylbenzimidazol-1-yl)methyl]-2-thioxo-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C32H32N6O3S MolecularWeight: 580.69988

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

Isomeric SMILES

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

InChI

InChI=1S/C32H32N6O3S/c1-5-41-31(40)29-20(2)35(18-36-21(3)33-24-13-7-9-15-26(24)36)32(42)38(30(29)23-12-6-11-17-28(23)39)19-37-22(4)34-25-14-8-10-16-27(25)37/h6-17,30,39H,5,18-19H2,1-4H3