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

Systemtic Name: N2-[(2-chlorophenyl)methyl]-N4-[(1-methylpiperidin-4-yl)methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-[(2-chlorophenyl)methyl]-N4-[(1-methyl-4-piperidyl)methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[(2-chlorophenyl)methyl]-N4-[(1-methyl-4-piperidinyl)methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[(2-chlorophenyl)methyl]-4-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: (2-chlorobenzyl)-[4-[(1-methyl-4-piperidyl)methylamino]-5-nitro-pyrimidin-2-yl]amine Formula: C18H23ClN6O2 MolecularWeight: 390.86722

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3Cl

Isomeric SMILES

CN1CCC(CC1)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3Cl

InChI

InChI=1S/C18H23ClN6O2/c1-24-8-6-13(7-9-24)10-20-17-16(25(26)27)12-22-18(23-17)21-11-14-4-2-3-5-15(14)19/h2-5,12-13H,6-11H2,1H3,(H2,20,21,22,23)