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

Systemtic Name: N2-cyclohexyl-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-cyclohexyl-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-cyclohexyl-N4-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-cyclohexyl-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]-(2,5-dimethoxyphenyl)amine Formula: C18H24N6O4 MolecularWeight: 388.42096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3CCCCC3

InChI

InChI=1S/C18H24N6O4/c1-27-12-8-9-14(28-2)13(10-12)21-17-15(24(25)26)16(19)22-18(23-17)20-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H4,19,20,21,22,23)