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

Systemtic Name: N'-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-4-bromanyl-benzohydrazide Openeye Name: N'-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-4-bromo-benzohydrazide CAS Name: N'-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]-4-bromobenzohydrazide IUPAC Name: N'-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-4-bromobenzohydrazide Traditional Name: N'-[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]-4-bromo-benzohydrazide Formula: C13H12BrN5O3S MolecularWeight: 398.23508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NNC(=O)CSC2=NC(=O)C=C(N2)N)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)NNC(=O)CSC2=NC(=O)C=C(N2)N)Br

InChI

InChI=1S/C13H12BrN5O3S/c14-8-3-1-7(2-4-8)12(22)19-18-11(21)6-23-13-16-9(15)5-10(20)17-13/h1-5H,6H2,(H,18,21)(H,19,22)(H3,15,16,17,20)