N2-(4-chlorophenyl)-N4-[(1-methylpiperidin-4-yl)methyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-N4-[(1-methylpiperidin-4-yl)methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-[(1-methyl-4-piperidyl)methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-[(1-methyl-4-piperidinyl)methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-[(1-methyl-4-piperidyl)methyl]amine Formula: C17H21ClN6O2 MolecularWeight: 376.84064

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1CCC(CC1)CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H21ClN6O2/c1-23-8-6-12(7-9-23)10-19-16-15(24(25)26)11-20-17(22-16)21-14-4-2-13(18)3-5-14/h2-5,11-12H,6-10H2,1H3,(H2,19,20,21,22)