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

Systemtic Name: N4-(2-azanylcyclohexyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-(2-aminocyclohexyl)-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-(2-aminocyclohexyl)-N2-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-(2-aminocyclohexyl)-2-N-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: (2-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:

C1CCC(C(C1)N)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(C(C1)N)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN6O2/c17-10-5-7-11(8-6-10)20-16-19-9-14(23(24)25)15(22-16)21-13-4-2-1-3-12(13)18/h5-9,12-13H,1-4,18H2,(H2,19,20,21,22)