N6-(1-methoxypropan-2-yl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(1-methoxypropan-2-yl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: N6-(2-methoxy-1-methyl-ethyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine CAS Name: N6-(1-methoxypropan-2-yl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(1-methoxypropan-2-yl)-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: (2-methoxy-1-methyl-ethyl)-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amine Formula: C16H21N5O3 MolecularWeight: 331.36964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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