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

Systemtic Name: methyl 6-[3-(2-azanylethylamino)-3-oxidanylidene-propyl]-4-(2-chlorophenyl)-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-[3-(2-aminoethylamino)-3-oxo-propyl]-4-(2-chlorophenyl)-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-(2-aminoethylamino)-3-oxopropyl]-4-(2-chlorophenyl)-2-(2-pyridinyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[3-(2-aminoethylamino)-3-oxopropyl]-4-(2-chlorophenyl)-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(2-aminoethylamino)-3-keto-propyl]-4-(2-chlorophenyl)-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H24ClN5O3 MolecularWeight: 441.91066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=NC1C2=CC=CC=C2Cl)C3=CC=CC=N3)CCC(=O)NCCN

Isomeric SMILES

COC(=O)C1=C(NC(=NC1C2=CC=CC=C2Cl)C3=CC=CC=N3)CCC(=O)NCCN

InChI

InChI=1S/C22H24ClN5O3/c1-31-22(30)19-16(9-10-18(29)26-13-11-24)27-21(17-8-4-5-12-25-17)28-20(19)14-6-2-3-7-15(14)23/h2-8,12,20H,9-11,13,24H2,1H3,(H,26,29)(H,27,28)