N6-(3-chlorophenyl)-N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-chlorophenyl)-N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-chlorophenyl)-N4-methyl-N4-(1-methyl-4-piperidyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-chlorophenyl)-N4-methyl-N4-(1-methyl-4-piperidinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-chlorophenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloroanilino)-5-nitro-pyrimidin-4-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C17H21ClN6O2 MolecularWeight: 376.84064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN6O2/c1-22-8-6-14(7-9-22)23(2)17-15(24(25)26)16(19-11-20-17)21-13-5-3-4-12(18)10-13/h3-5,10-11,14H,6-9H2,1-2H3,(H,19,20,21)