N'-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl]-4-nitro-benzohydrazide

Systemtic Name: N'-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl]-4-nitro-benzohydrazide Openeye Name: N'-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-4-nitro-benzohydrazide CAS Name: N'-[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]-4-nitrobenzohydrazide IUPAC Name: N'-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-4-nitrobenzohydrazide Traditional Name: N'-[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]-4-nitro-benzohydrazide Formula: C13H13N7O4S MolecularWeight: 363.35182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NNC(=O)CSC2=NC(=CC(=N2)N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NNC(=O)CSC2=NC(=CC(=N2)N)N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N7O4S/c14-9-5-10(15)17-13(16-9)25-6-11(21)18-19-12(22)7-1-3-8(4-2-7)20(23)24/h1-5H,6H2,(H,18,21)(H,19,22)(H4,14,15,16,17)