2-[3-methyl-2,6-bis(oxidanylidene)-8-(phenylmethylsulfanyl)purin-7-yl]ethanamide

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-8-(phenylmethylsulfanyl)purin-7-yl]ethanamide Openeye Name: 2-(8-benzylsulfanyl-3-methyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: 2-[3-methyl-2,6-dioxo-8-(phenylmethylthio)-7-purinyl]acetamide IUPAC Name: 2-(8-benzylsulfanyl-3-methyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: 2-[8-(benzylthio)-2,6-diketo-3-methyl-purin-7-yl]acetamide Formula: C15H15N5O3S MolecularWeight: 345.3763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CC(=O)N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CC(=O)N

InChI

InChI=1S/C15H15N5O3S/c1-19-12-11(13(22)18-14(19)23)20(7-10(16)21)15(17-12)24-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,16,21)(H,18,22,23)