N-(2-nitro-5-propylsulfanyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-(2-nitro-5-propylsulfanyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-(2-nitro-5-propylsulfanyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-[2-nitro-5-(propylthio)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-nitro-5-propylsulfanylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-[2-nitro-5-(propylthio)phenyl]-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C19H24N6O3S MolecularWeight: 416.49726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H24N6O3S/c1-2-12-29-15-4-5-17(25(27)28)16(13-15)22-18(26)14-23-8-10-24(11-9-23)19-20-6-3-7-21-19/h3-7,13H,2,8-12,14H2,1H3,(H,22,26)