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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)N)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)N)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

InChI

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