4-[(2,4-dichlorophenyl)methylamino]-2-(4-piperidin-2-ylcarbonylpiperazin-1-yl)pyrimidine-5-carboxamide

Systemtic Name: 4-[(2,4-dichlorophenyl)methylamino]-2-(4-piperidin-2-ylcarbonylpiperazin-1-yl)pyrimidine-5-carboxamide Openeye Name: 4-[(2,4-dichlorophenyl)methylamino]-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide CAS Name: 4-[(2,4-dichlorophenyl)methylamino]-2-[4-[oxo(2-piperidinyl)methyl]-1-piperazinyl]-5-pyrimidinecarboxamide IUPAC Name: 4-[(2,4-dichlorophenyl)methylamino]-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide Traditional Name: 4-[(2,4-dichlorobenzyl)amino]-2-(4-pipecoloylpiperazino)pyrimidine-5-carboxamide Formula: C22H27Cl2N7O2 MolecularWeight: 492.40148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)C(=O)N2CCN(CC2)C3=NC=C(C(=N3)NCC4=C(C=C(C=C4)Cl)Cl)C(=O)N

Isomeric SMILES

C1CCNC(C1)C(=O)N2CCN(CC2)C3=NC=C(C(=N3)NCC4=C(C=C(C=C4)Cl)Cl)C(=O)N

InChI

InChI=1S/C22H27Cl2N7O2/c23-15-5-4-14(17(24)11-15)12-27-20-16(19(25)32)13-28-22(29-20)31-9-7-30(8-10-31)21(33)18-3-1-2-6-26-18/h4-5,11,13,18,26H,1-3,6-10,12H2,(H2,25,32)(H,27,28,29)