4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(4-chlorophenyl)sulfanyl-6-(4-methyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-[(4-chlorophenyl)thio]-6-(4-methyl-1-piperidinyl)-5-nitropyrimidine IUPAC Name: 4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-[(4-chlorophenyl)thio]-6-(4-methylpiperidino)-5-nitro-pyrimidine Formula: C16H17ClN4O2S MolecularWeight: 364.84978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN4O2S/c1-11-6-8-20(9-7-11)15-14(21(22)23)16(19-10-18-15)24-13-4-2-12(17)3-5-13/h2-5,10-11H,6-9H2,1H3