2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-benzyl-2-[(2,6-diketo-1,3-dimethyl-7H-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)NC(=N2)SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)NCC3=CC=CC=C3

InChI

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