2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-9H-purin-7-ium-8-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-9H-purin-7-ium-8-yl]sulfanyl]ethanamide Openeye Name: 2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-8-yl)sulfanyl]acetamide CAS Name: 2-[[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-9H-purin-7-ium-8-yl]thio]acetamide IUPAC Name: 2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-8-yl)sulfanyl]acetamide Traditional Name: 2-[(7-benzyl-2,6-diketo-1,3-dimethyl-9H-purin-7-ium-8-yl)thio]acetamide Formula: C16H18N5O3S+ MolecularWeight: 360.41082

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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)/p+1