methyl 6-[3-(butylamino)-3-oxidanylidene-propyl]-4-(2-chlorophenyl)-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-[3-(butylamino)-3-oxidanylidene-propyl]-4-(2-chlorophenyl)-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-[3-(butylamino)-3-oxo-propyl]-4-(2-chlorophenyl)-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-(butylamino)-3-oxopropyl]-4-(2-chlorophenyl)-2-(2-pyridinyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[3-(butylamino)-3-oxopropyl]-4-(2-chlorophenyl)-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(butylamino)-3-keto-propyl]-4-(2-chlorophenyl)-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C24H27ClN4O3 MolecularWeight: 454.94918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCC1=C(C(N=C(N1)C2=CC=CC=N2)C3=CC=CC=C3Cl)C(=O)OC

Isomeric SMILES

CCCCNC(=O)CCC1=C(C(N=C(N1)C2=CC=CC=N2)C3=CC=CC=C3Cl)C(=O)OC

InChI

InChI=1S/C24H27ClN4O3/c1-3-4-14-27-20(30)13-12-18-21(24(31)32-2)22(16-9-5-6-10-17(16)25)29-23(28-18)19-11-7-8-15-26-19/h5-11,15,22H,3-4,12-14H2,1-2H3,(H,27,30)(H,28,29)