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

Systemtic Name: ethyl 4-(4-methylsulfanylphenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-(4-methylsulfanylphenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-[4-(methylthio)phenyl]-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylsulfanylphenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-[4-(methylthio)phenyl]-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=C(C=C4)SC)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=C(C=C4)SC)C(=O)OCC

InChI

InChI=1S/C23H25N3O2S/c1-4-8-18-20(22(27)28-5-2)21(15-11-13-16(29-3)14-12-15)26-19-10-7-6-9-17(19)24-23(26)25-18/h6-7,9-14,21H,4-5,8H2,1-3H3,(H,24,25)