methyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]pyrimidine-4-carboxylate

Systemtic Name: methyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]pyrimidine-4-carboxylate Openeye Name: methyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]pyrimidine-4-carboxylate CAS Name: 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propylamino]-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]pyrimidine-4-carboxylate Traditional Name: 2-[3-[4-(3-chlorophenyl)piperazino]propylamino]pyrimidine-4-carboxylic acid methyl ester Formula: C19H24ClN5O2 MolecularWeight: 389.87916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NC=C1)NCCCN2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=NC(=NC=C1)NCCCN2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H24ClN5O2/c1-27-18(26)17-6-8-22-19(23-17)21-7-3-9-24-10-12-25(13-11-24)16-5-2-4-15(20)14-16/h2,4-6,8,14H,3,7,9-13H2,1H3,(H,21,22,23)