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

Systemtic Name: N2-cyclohexyl-N4-(2-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-cyclohexyl-N4-(2-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-cyclohexyl-N4-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-cyclohexyl-4-N-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]-(2-methoxyphenyl)amine Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3CCCCC3

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3CCCCC3

InChI

InChI=1S/C17H22N6O3/c1-26-13-10-6-5-9-12(13)20-16-14(23(24)25)15(18)21-17(22-16)19-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H4,18,19,20,21,22)