N4-(3-azanylcyclohexyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-(3-azanylcyclohexyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-(3-aminocyclohexyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-(3-aminocyclohexyl)-N2-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-(3-aminocyclohexyl)-2-N-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: (3-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(CC(C1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1CC(CC(C1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C16H19ClN6O2/c17-10-4-6-12(7-5-10)21-16-19-9-14(23(24)25)15(22-16)20-13-3-1-2-11(18)8-13/h4-7,9,11,13H,1-3,8,18H2,(H2,19,20,21,22)