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

Systemtic Name: N4-butan-2-yl-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-5-nitro-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-butan-2-yl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amine Formula: C15H19N5O2 MolecularWeight: 301.34366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O2/c1-3-11(2)19-15-13(20(21)22)14(17-10-18-15)16-9-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H2,16,17,18,19)