3-nitro-4-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]thio]-3-nitro-benzamide Formula: C17H18N6O4S MolecularWeight: 402.42762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O4S/c18-16(25)12-2-3-14(13(10-12)23(26)27)28-11-15(24)21-6-8-22(9-7-21)17-19-4-1-5-20-17/h1-5,10H,6-9,11H2,(H2,18,25)