N4-(2-methoxyphenyl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-methoxyphenyl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-isopentyl-N4-(2-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-methoxyphenyl)-N6-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methoxyphenyl)-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: isoamyl-[5-nitro-6-(o-anisidino)pyrimidin-4-yl]amine Formula: C16H21N5O3 MolecularWeight: 331.36964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2OC

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2OC

InChI

InChI=1S/C16H21N5O3/c1-11(2)8-9-17-15-14(21(22)23)16(19-10-18-15)20-12-6-4-5-7-13(12)24-3/h4-7,10-11H,8-9H2,1-3H3,(H2,17,18,19,20)