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

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanylethanamide Openeye Name: 2-(7-benzyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide CAS Name: 2-[[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]thio]acetamide IUPAC Name: 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: 2-[(7-benzyl-2,6-diketo-3-methyl-purin-8-yl)thio]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)SCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)N)CC3=CC=CC=C3

InChI

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