N4-cyclopentyl-N6-(2-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-cyclopentyl-N6-(2-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cyclopentyl-N6-(2-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cyclopentyl-N6-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cyclopentyl-6-N-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cyclopentyl-[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H21N5O2 MolecularWeight: 327.38094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O2/c1-2-12-7-3-6-10-14(12)21-17-15(22(23)24)16(18-11-19-17)20-13-8-4-5-9-13/h3,6-7,10-11,13H,2,4-5,8-9H2,1H3,(H2,18,19,20,21)