2-(azepan-1-yl)-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: 2-(azepan-1-yl)-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: 2-(azepan-1-yl)-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: 2-(1-azepanyl)-N4-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 2-(azepan-1-yl)-4-N-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-p-phenetyl-amine Formula: C18H24N6O3 MolecularWeight: 372.42156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCCCCC3

InChI

InChI=1S/C18H24N6O3/c1-2-27-14-9-7-13(8-10-14)20-17-15(24(25)26)16(19)21-18(22-17)23-11-5-3-4-6-12-23/h7-10H,2-6,11-12H2,1H3,(H3,19,20,21,22)