4-(3-methylpiperidin-1-yl)-5-nitro-6-phenylsulfanyl-pyrimidine

Systemtic Name: 4-(3-methylpiperidin-1-yl)-5-nitro-6-phenylsulfanyl-pyrimidine Openeye Name: 4-(3-methyl-1-piperidyl)-5-nitro-6-phenylsulfanyl-pyrimidine CAS Name: 4-(3-methyl-1-piperidinyl)-5-nitro-6-(phenylthio)pyrimidine IUPAC Name: 4-(3-methylpiperidin-1-yl)-5-nitro-6-phenylsulfanylpyrimidine Traditional Name: 4-(3-methylpiperidino)-5-nitro-6-(phenylthio)pyrimidine Formula: C16H18N4O2S MolecularWeight: 330.40472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O2S/c1-12-6-5-9-19(10-12)15-14(20(21)22)16(18-11-17-15)23-13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3