2-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]acetamide CAS Name: 2-[[6-amino-8-oxo-9-(phenylmethyl)-7H-purin-2-yl]thio]acetamide IUPAC Name: 2-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(6-amino-9-benzyl-8-keto-7H-purin-2-yl)thio]acetamide Formula: C14H14N6O2S MolecularWeight: 330.36496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCC(=O)N)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCC(=O)N)N)NC2=O

InChI

InChI=1S/C14H14N6O2S/c15-9(21)7-23-13-18-11(16)10-12(19-13)20(14(22)17-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,15,21)(H,17,22)(H2,16,18,19)