6-(azepan-1-yl)-N-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(2-methoxy-5-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(2-methoxy-5-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(2-methoxy-5-methyl-phenyl)amine Formula: C18H23N5O3 MolecularWeight: 357.40692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C18H23N5O3/c1-13-7-8-15(26-2)14(11-13)21-17-16(23(24)25)18(20-12-19-17)22-9-5-3-4-6-10-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,20,21)