N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N4-(m-tolyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine CAS Name: N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-propylpyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-4-N-(3-methylphenyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine Traditional Name: ethyl-(m-tolyl)-[5-nitro-6-(propylamino)pyrimidin-4-yl]amine Formula: C16H21N5O2 MolecularWeight: 315.37024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=NC=N1)N(CC)C2=CC=CC(=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C(=NC=N1)N(CC)C2=CC=CC(=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O2/c1-4-9-17-15-14(21(22)23)16(19-11-18-15)20(5-2)13-8-6-7-12(3)10-13/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,18,19)