N'-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoyl]-4-chloranyl-benzohydrazide

Systemtic Name: N'-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoyl]-4-chloranyl-benzohydrazide Openeye Name: N'-[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]-4-chloro-benzohydrazide CAS Name: N'-[2-[(6-amino-7H-purin-8-yl)thio]-1-oxoethyl]-4-chlorobenzohydrazide IUPAC Name: N'-[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide Traditional Name: N'-[2-[(6-amino-7H-purin-8-yl)thio]acetyl]-4-chloro-benzohydrazide Formula: C14H12ClN7O2S MolecularWeight: 377.80878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NNC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NNC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)Cl

InChI

InChI=1S/C14H12ClN7O2S/c15-8-3-1-7(2-4-8)13(24)22-21-9(23)5-25-14-19-10-11(16)17-6-18-12(10)20-14/h1-4,6H,5H2,(H,21,23)(H,22,24)(H3,16,17,18,19,20)