N4-butan-2-yl-2-methylsulfanyl-5-nitro-N6-propan-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-butan-2-yl-2-methylsulfanyl-5-nitro-N6-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-isopropyl-2-methylsulfanyl-5-nitro-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-2-(methylthio)-5-nitro-N6-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 4-N-butan-2-yl-2-methylsulfanyl-5-nitro-6-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: isopropyl-[2-(methylthio)-5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amine Formula: C12H21N5O2S MolecularWeight: 299.39244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N5O2S/c1-6-8(4)14-11-9(17(18)19)10(13-7(2)3)15-12(16-11)20-5/h7-8H,6H2,1-5H3,(H2,13,14,15,16)