N4-cyclopentyl-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O2/c23-22(24)15-16(18-11-10-13-6-2-1-3-7-13)19-12-20-17(15)21-14-8-4-5-9-14/h1-3,6-7,12,14H,4-5,8-11H2,(H2,18,19,20,21)