N6-ethyl-2-methylsulfanyl-5-nitro-N4-pentyl-pyrimidine-4,6-diamine

Systemtic Name: N6-ethyl-2-methylsulfanyl-5-nitro-N4-pentyl-pyrimidine-4,6-diamine Openeye Name: N6-ethyl-2-methylsulfanyl-5-nitro-N4-pentyl-pyrimidine-4,6-diamine CAS Name: N6-ethyl-2-(methylthio)-5-nitro-N4-pentylpyrimidine-4,6-diamine IUPAC Name: 6-N-ethyl-2-methylsulfanyl-5-nitro-4-N-pentylpyrimidine-4,6-diamine Traditional Name: amyl-[6-(ethylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amine Formula: C12H21N5O2S MolecularWeight: 299.39244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC(=NC(=C1[N+](=O)[O-])NCC)SC

Isomeric SMILES

CCCCCNC1=NC(=NC(=C1[N+](=O)[O-])NCC)SC

InChI

InChI=1S/C12H21N5O2S/c1-4-6-7-8-14-11-9(17(18)19)10(13-5-2)15-12(16-11)20-3/h4-8H2,1-3H3,(H2,13,14,15,16)