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

Systemtic Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-N,N-dimethyl-pyrimidine-4-carboxamide Openeye Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-N,N-dimethyl-pyrimidine-4-carboxamide CAS Name: 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propylamino]-N,N-dimethyl-4-pyrimidinecarboxamide IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyrimidine-4-carboxamide Traditional Name: 2-[3-[4-(3-chlorophenyl)piperazino]propylamino]-N,N-dimethyl-pyrimidine-4-carboxamide Formula: C20H27ClN6O MolecularWeight: 402.92098

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=NC(=NC=C1)NCCCN2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CN(C)C(=O)C1=NC(=NC=C1)NCCCN2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H27ClN6O/c1-25(2)19(28)18-7-9-23-20(24-18)22-8-4-10-26-11-13-27(14-12-26)17-6-3-5-16(21)15-17/h3,5-7,9,15H,4,8,10-14H2,1-2H3,(H,22,23,24)