N4-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-(5-methylisoxazol-3-yl)-5-nitro-N6-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-(5-methyl-3-isoxazolyl)-5-nitro-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: (5-methylisoxazol-3-yl)-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amine Formula: C15H21N7O3 MolecularWeight: 347.37234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H21N7O3/c1-11-9-12(20-25-11)19-15-13(22(23)24)14(17-10-18-15)16-5-8-21-6-3-2-4-7-21/h9-10H,2-8H2,1H3,(H2,16,17,18,19,20)