ethyl 4-(4-methylsulfanylphenyl)-2-phenyl-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl 4-(4-methylsulfanylphenyl)-2-phenyl-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-(4-methylsulfanylphenyl)-2-phenyl-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-[4-(methylthio)phenyl]-2-phenyl-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylsulfanylphenyl)-2-phenyl-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-[4-(methylthio)phenyl]-2-phenyl-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2NC3=CC=CC=C3N2C1C4=CC=C(C=C4)SC)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N=C2NC3=CC=CC=C3N2C1C4=CC=C(C=C4)SC)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O2S/c1-3-31-25(30)22-23(17-9-5-4-6-10-17)28-26-27-20-11-7-8-12-21(20)29(26)24(22)18-13-15-19(32-2)16-14-18/h4-16,24H,3H2,1-2H3,(H,27,28)