N4-butan-2-yl-N6-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butan-2-yl-N6-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-(p-tolylmethyl)-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-N6-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butan-2-yl-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (4-methylbenzyl)-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amine Formula: C16H21N5O2 MolecularWeight: 315.37024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)C

InChI

InChI=1S/C16H21N5O2/c1-4-12(3)20-16-14(21(22)23)15(18-10-19-16)17-9-13-7-5-11(2)6-8-13/h5-8,10,12H,4,9H2,1-3H3,(H2,17,18,19,20)