2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanylethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanylethanamide Openeye Name: 2-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetamide CAS Name: 2-[[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]thio]acetamide IUPAC Name: 2-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: 2-[(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C16H17N5O3S/c1-19-13-12(14(23)20(2)16(19)24)21(8-10-6-4-3-5-7-10)15(18-13)25-9-11(17)22/h3-7H,8-9H2,1-2H3,(H2,17,22)