6-(azepan-1-yl)-N2-(3,4-dimethylphenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: 6-(azepan-1-yl)-N2-(3,4-dimethylphenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2-(3,4-dimethylphenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]-(3,4-dimethylphenyl)amine Formula: C18H24N6O2 MolecularWeight: 356.42216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCCC3)C

InChI

InChI=1S/C18H24N6O2/c1-12-7-8-14(11-13(12)2)20-18-21-16(19)15(24(25)26)17(22-18)23-9-5-3-4-6-10-23/h7-8,11H,3-6,9-10H2,1-2H3,(H3,19,20,21,22)