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

Systemtic Name: ethyl 4-(4-methylsulfanylphenyl)-2-oxidanylidene-1-pentyl-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-(4-methylsulfanylphenyl)-2-oxo-1-pentyl-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-[4-(methylthio)phenyl]-2-oxo-1-pentyl-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylsulfanylphenyl)-2-oxo-1-pentyl-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 1-amyl-2-keto-4-[4-(methylthio)phenyl]-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C(C(N2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)SC)C(=O)OCC

Isomeric SMILES

CCCCCN1C(=O)C(C(N2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)SC)C(=O)OCC

InChI

InChI=1S/C25H29N3O3S/c1-4-6-9-16-27-23(29)21(24(30)31-5-2)22(17-12-14-18(32-3)15-13-17)28-20-11-8-7-10-19(20)26-25(27)28/h7-8,10-15,21-22H,4-6,9,16H2,1-3H3