N'-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-3-nitro-benzohydrazide

Systemtic Name: N'-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-3-nitro-benzohydrazide Openeye Name: N'-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-3-nitro-benzohydrazide CAS Name: N'-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]-3-nitrobenzohydrazide IUPAC Name: N'-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-3-nitrobenzohydrazide Traditional Name: N'-[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]-3-nitro-benzohydrazide Formula: C13H12N6O5S MolecularWeight: 364.33658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=O)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=O)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C13H12N6O5S/c14-9-5-10(20)16-13(15-9)25-6-11(21)17-18-12(22)7-2-1-3-8(4-7)19(23)24/h1-5H,6H2,(H,17,21)(H,18,22)(H3,14,15,16,20)