2-[[3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]methylsulfanyl]ethanehydrazide

Systemtic Name: 2-[[3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]methylsulfanyl]ethanehydrazide Openeye Name: 2-[(3-methyl-2,6-dioxo-7-phenethyl-purin-8-yl)methylsulfanyl]acetohydrazide CAS Name: 2-[(3-methyl-2,6-dioxo-7-phenethyl-8-purinyl)methylthio]acetohydrazide IUPAC Name: 2-[(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)methylsulfanyl]acetohydrazide Traditional Name: 2-[(2,6-diketo-3-methyl-7-phenethyl-purin-8-yl)methylthio]acetohydrazide Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CSCC(=O)NN)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CSCC(=O)NN)CCC3=CC=CC=C3

InChI

InChI=1S/C17H20N6O3S/c1-22-15-14(16(25)20-17(22)26)23(8-7-11-5-3-2-4-6-11)12(19-15)9-27-10-13(24)21-18/h2-6H,7-10,18H2,1H3,(H,21,24)(H,20,25,26)