N2-(3-chlorophenyl)-N4-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: N2-(3-chlorophenyl)-N4-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine Openeye Name: N2-(3-chlorophenyl)-N4-[(1-methyl-4-piperidyl)methyl]pyrimidine-2,4-diamine CAS Name: N2-(3-chlorophenyl)-N4-[(1-methyl-4-piperidinyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(3-chlorophenyl)-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-(3-chloroanilino)pyrimidin-4-yl]-[(1-methyl-4-piperidyl)methyl]amine Formula: C17H22ClN5 MolecularWeight: 331.84308

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)CNC2=NC(=NC=C2)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1CCC(CC1)CNC2=NC(=NC=C2)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H22ClN5/c1-23-9-6-13(7-10-23)12-20-16-5-8-19-17(22-16)21-15-4-2-3-14(18)11-15/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H2,19,20,21,22)