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

Systemtic Name: methyl 2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanylethanoate Openeye Name: methyl 2-(7-benzyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-benzyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetic acid methyl ester Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O4S/c1-19-13-12(14(22)18-15(19)23)20(8-10-6-4-3-5-7-10)16(17-13)25-9-11(21)24-2/h3-7H,8-9H2,1-2H3,(H,18,22,23)