N2-(4-chlorophenyl)-N4-methyl-5-nitro-N4-piperidin-4-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-N4-methyl-5-nitro-N4-piperidin-4-yl-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-methyl-5-nitro-N4-(4-piperidyl)pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-methyl-5-nitro-N4-(4-piperidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-methyl-5-nitro-4-N-piperidin-4-ylpyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-methyl-(4-piperidyl)amine Formula: C16H19ClN6O2 MolecularWeight: 362.81406

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCNCC1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C1CCNCC1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN6O2/c1-22(13-6-8-18-9-7-13)15-14(23(24)25)10-19-16(21-15)20-12-4-2-11(17)3-5-12/h2-5,10,13,18H,6-9H2,1H3,(H,19,20,21)