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

Systemtic Name: 4-(4-methylphenyl)sulfanyl-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 5-nitro-4-(p-tolylsulfanyl)-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 4-[(4-methylphenyl)thio]-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-methylphenyl)sulfanyl-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 5-nitro-4-(p-tolylthio)-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C20H20N6O2S MolecularWeight: 408.4768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C20H20N6O2S/c1-15-5-7-16(8-6-15)29-20-18(26(27)28)19(22-14-23-20)25-12-10-24(11-13-25)17-4-2-3-9-21-17/h2-9,14H,10-13H2,1H3