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

Systemtic Name: ethyl 4-(2-hydroxyphenyl)-6-methyl-1,3-bis[[2-(phenylmethyl)benzimidazol-1-yl]methyl]-2-sulfanylidene-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 1,3-bis[(2-benzylbenzimidazol-1-yl)methyl]-4-(2-hydroxyphenyl)-6-methyl-2-thioxo-4H-pyrimidine-5-carboxylate CAS Name: 4-(2-hydroxyphenyl)-6-methyl-1,3-bis[[2-(phenylmethyl)-1-benzimidazolyl]methyl]-2-sulfanylidene-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1,3-bis[(2-benzylbenzimidazol-1-yl)methyl]-4-(2-hydroxyphenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Traditional Name: 1,3-bis[(2-benzylbenzimidazol-1-yl)methyl]-4-(2-hydroxyphenyl)-6-methyl-2-thioxo-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C44H40N6O3S MolecularWeight: 732.8918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC=CC=C2O)CN3C4=CC=CC=C4N=C3CC5=CC=CC=C5)CN6C7=CC=CC=C7N=C6CC8=CC=CC=C8)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC=CC=C2O)CN3C4=CC=CC=C4N=C3CC5=CC=CC=C5)CN6C7=CC=CC=C7N=C6CC8=CC=CC=C8)C

InChI

InChI=1S/C44H40N6O3S/c1-3-53-43(52)41-30(2)47(28-48-36-23-13-11-21-34(36)45-39(48)26-31-16-6-4-7-17-31)44(54)50(42(41)33-20-10-15-25-38(33)51)29-49-37-24-14-12-22-35(37)46-40(49)27-32-18-8-5-9-19-32/h4-25,42,51H,3,26-29H2,1-2H3