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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=C(C=CS4)C)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=C(C=CS4)C)C(=O)OCC

InChI

InChI=1S/C21H23N3O2S/c1-4-8-15-17(20(25)26-5-2)18(19-13(3)11-12-27-19)24-16-10-7-6-9-14(16)22-21(24)23-15/h6-7,9-12,18H,4-5,8H2,1-3H3,(H,22,23)