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

Systemtic Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-N-methyl-pyrimidine-4-carboxamide Openeye Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-N-methyl-pyrimidine-4-carboxamide CAS Name: 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propylamino]-N-methyl-4-pyrimidinecarboxamide IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-N-methylpyrimidine-4-carboxamide Traditional Name: 2-[3-[4-(3-chlorophenyl)piperazino]propylamino]-N-methyl-pyrimidine-4-carboxamide Formula: C19H25ClN6O MolecularWeight: 388.8944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN6O/c1-21-18(27)17-6-8-23-19(24-17)22-7-3-9-25-10-12-26(13-11-25)16-5-2-4-15(20)14-16/h2,4-6,8,14H,3,7,9-13H2,1H3,(H,21,27)(H,22,23,24)