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

Systemtic Name: ethyl 4-(3-methoxy-4-oxidanyl-phenyl)-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-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2-thioxo-4H-pyrimidine-5-carboxylate CAS Name: 4-(4-hydroxy-3-methoxyphenyl)-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-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Traditional Name: 1,3-bis[(2-benzylbenzimidazol-1-yl)methyl]-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2-thioxo-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C45H42N6O4S MolecularWeight: 762.91778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC(=C(C=C2)O)OC)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(=C(C=C2)O)OC)CN3C4=CC=CC=C4N=C3CC5=CC=CC=C5)CN6C7=CC=CC=C7N=C6CC8=CC=CC=C8)C

InChI

InChI=1S/C45H42N6O4S/c1-4-55-44(53)42-30(2)48(28-49-36-21-13-11-19-34(36)46-40(49)25-31-15-7-5-8-16-31)45(56)51(43(42)33-23-24-38(52)39(27-33)54-3)29-50-37-22-14-12-20-35(37)47-41(50)26-32-17-9-6-10-18-32/h5-24,27,43,52H,4,25-26,28-29H2,1-3H3