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

Systemtic Name: 5-nitro-4-[4-(phenylmethyl)piperidin-1-yl]-6-phenylsulfanyl-pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-5-nitro-6-phenylsulfanyl-pyrimidine CAS Name: 5-nitro-4-[4-(phenylmethyl)-1-piperidinyl]-6-(phenylthio)pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-5-nitro-6-phenylsulfanylpyrimidine Traditional Name: 4-(4-benzylpiperidino)-5-nitro-6-(phenylthio)pyrimidine Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)SC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)SC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O2S/c27-26(28)20-21(23-16-24-22(20)29-19-9-5-2-6-10-19)25-13-11-18(12-14-25)15-17-7-3-1-4-8-17/h1-10,16,18H,11-15H2