4-[(2,4-dichlorophenyl)methylamino]-2-[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]pyrimidine-5-carboxamide

Systemtic Name: 4-[(2,4-dichlorophenyl)methylamino]-2-[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]pyrimidine-5-carboxamide Openeye Name: 4-[(2,4-dichlorophenyl)methylamino]-2-[6-(4-ethylpiperazin-1-yl)-3-pyridyl]pyrimidine-5-carboxamide CAS Name: 4-[(2,4-dichlorophenyl)methylamino]-2-[6-(4-ethyl-1-piperazinyl)-3-pyridinyl]-5-pyrimidinecarboxamide IUPAC Name: 4-[(2,4-dichlorophenyl)methylamino]-2-[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]pyrimidine-5-carboxamide Traditional Name: 4-[(2,4-dichlorobenzyl)amino]-2-[6-(4-ethylpiperazino)-3-pyridyl]pyrimidine-5-carboxamide Formula: C23H25Cl2N7O MolecularWeight: 486.3969

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C=C2)C3=NC=C(C(=N3)NCC4=C(C=C(C=C4)Cl)Cl)C(=O)N

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C=C2)C3=NC=C(C(=N3)NCC4=C(C=C(C=C4)Cl)Cl)C(=O)N

InChI

InChI=1S/C23H25Cl2N7O/c1-2-31-7-9-32(10-8-31)20-6-4-16(13-27-20)22-29-14-18(21(26)33)23(30-22)28-12-15-3-5-17(24)11-19(15)25/h3-6,11,13-14H,2,7-10,12H2,1H3,(H2,26,33)(H,28,29,30)