pentyl 2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: pentyl 2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: pentyl 2-methyl-4-(2-thienyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid pentyl ester IUPAC Name: pentyl 2-methyl-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 2-methyl-4-(2-thienyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid amyl ester Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=CC=CS4)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=CC=CS4)C

InChI

InChI=1S/C21H23N3O2S/c1-3-4-7-12-26-20(25)18-14(2)22-21-23-15-9-5-6-10-16(15)24(21)19(18)17-11-8-13-27-17/h5-6,8-11,13,19H,3-4,7,12H2,1-2H3,(H,22,23)