N2-(3-chlorophenyl)-N4-cyclohexyl-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-(3-chlorophenyl)-N4-cyclohexyl-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(3-chlorophenyl)-N4-cyclohexyl-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(3-chlorophenyl)-N4-cyclohexyl-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-(3-chlorophenyl)-4-N-cyclohexyl-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3-chloroanilino)-5-nitro-pyrimidin-4-yl]-cyclohexyl-amine Formula: C16H19ClN6O2 MolecularWeight: 362.81406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H19ClN6O2/c17-10-5-4-8-12(9-10)20-16-21-14(18)13(23(24)25)15(22-16)19-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H4,18,19,20,21,22)