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

Systemtic Name: N4-cyclohexyl-N2-(3-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-cyclohexyl-N2-(3-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-cyclohexyl-N2-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-cyclohexyl-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(cyclohexylamino)-5-nitro-pyrimidin-2-yl]-(3-methoxyphenyl)amine Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)NC3CCCCC3)[N+](=O)[O-])N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)NC3CCCCC3)[N+](=O)[O-])N

InChI

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