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

Systemtic Name: N6-butan-2-yl-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(1-phenylethyl)-N6-sec-butyl-pyrimidine-4,6-diamine CAS Name: N6-butan-2-yl-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-butan-2-yl-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]-sec-butyl-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-])NC(C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

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