N4-ethyl-N6-methyl-2-methylsulfanyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-N6-methyl-2-methylsulfanyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N4-ethyl-N6-methyl-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-ethyl-N6-methyl-2-(methylthio)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-4-N-ethyl-6-N-methyl-2-methylsulfanyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-ethyl-[6-(methylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amine Formula: C15H19N5O2S MolecularWeight: 333.40866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=NC(=NC(=C2[N+](=O)[O-])NC)SC

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=NC(=NC(=C2[N+](=O)[O-])NC)SC

InChI

InChI=1S/C15H19N5O2S/c1-4-19(10-11-8-6-5-7-9-11)14-12(20(21)22)13(16-2)17-15(18-14)23-3/h5-9H,4,10H2,1-3H3,(H,16,17,18)