N4-cyclohexyl-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-cyclohexyl-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-cyclohexyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cyclohexyl-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-cyclohexyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H21N5O2 MolecularWeight: 327.38094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

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