cyclohexyl 2-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: cyclohexyl 2-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: cyclohexyl 2-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 2-methyl-4-[4-(methylthio)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 2-methyl-4-[4-(methylthio)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid cyclohexyl ester Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=C(C=C4)SC)C(=O)OC5CCCCC5

Isomeric SMILES

CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=C(C=C4)SC)C(=O)OC5CCCCC5

InChI

InChI=1S/C25H27N3O2S/c1-16-22(24(29)30-18-8-4-3-5-9-18)23(17-12-14-19(31-2)15-13-17)28-21-11-7-6-10-20(21)27-25(28)26-16/h6-7,10-15,18,23H,3-5,8-9H2,1-2H3,(H,26,27)