N4-(4-azanylcyclohexyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-(4-azanylcyclohexyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-(4-aminocyclohexyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-(4-aminocyclohexyl)-N2-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-(4-aminocyclohexyl)-2-N-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: (4-aminocyclohexyl)-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H19ClN6O2 MolecularWeight: 362.81406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC(CCC1N)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN6O2/c17-10-1-5-13(6-2-10)21-16-19-9-14(23(24)25)15(22-16)20-12-7-3-11(18)4-8-12/h1-2,5-6,9,11-12H,3-4,7-8,18H2,(H2,19,20,21,22)