N6-(4-methylphenyl)-5-nitro-N4-propan-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-methylphenyl)-5-nitro-N4-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-isopropyl-5-nitro-N6-(p-tolyl)pyrimidine-4,6-diamine CAS Name: N6-(4-methylphenyl)-5-nitro-N4-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-(4-methylphenyl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: isopropyl-[5-nitro-6-(p-toluidino)pyrimidin-4-yl]amine Formula: C14H17N5O2 MolecularWeight: 287.31708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O2/c1-9(2)17-13-12(19(20)21)14(16-8-15-13)18-11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H2,15,16,17,18)