4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidine

Systemtic Name: 4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidine Openeye Name: 4-(2-ethyl-1-piperidyl)-5-nitro-6-(p-tolylsulfanyl)pyrimidine CAS Name: 4-(2-ethyl-1-piperidinyl)-6-[(4-methylphenyl)thio]-5-nitropyrimidine IUPAC Name: 4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidine Traditional Name: 4-(2-ethylpiperidino)-5-nitro-6-(p-tolylthio)pyrimidine Formula: C18H22N4O2S MolecularWeight: 358.45788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O2S/c1-3-14-6-4-5-11-21(14)17-16(22(23)24)18(20-12-19-17)25-15-9-7-13(2)8-10-15/h7-10,12,14H,3-6,11H2,1-2H3