5-chloranyl-2-piperidin-1-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-piperidin-1-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-(1-piperidyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(1-piperidinyl)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-piperidin-1-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-piperidino-N-[3-[4-(2-pyrimidyl)piperazino]propyl]pyrimidine-4-carboxamide Formula: C21H29ClN8O MolecularWeight: 444.96096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C(=N2)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4)Cl

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C(=N2)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4)Cl

InChI

InChI=1S/C21H29ClN8O/c22-17-16-26-21(29-10-2-1-3-11-29)27-18(17)19(31)23-8-5-9-28-12-14-30(15-13-28)20-24-6-4-7-25-20/h4,6-7,16H,1-3,5,8-15H2,(H,23,31)