4-(4-methylphenyl)sulfanyl-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine

Systemtic Name: 4-(4-methylphenyl)sulfanyl-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-5-nitro-6-(p-tolylsulfanyl)pyrimidine CAS Name: 4-[(4-methylphenyl)thio]-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperidino)-5-nitro-6-(p-tolylthio)pyrimidine Formula: C23H24N4O2S MolecularWeight: 420.52726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2S/c1-17-7-9-20(10-8-17)30-23-21(27(28)29)22(24-16-25-23)26-13-11-19(12-14-26)15-18-5-3-2-4-6-18/h2-10,16,19H,11-15H2,1H3