2-[3-methyl-2,6-bis(oxidanylidene)-7-(1-phenylethyl)purin-8-yl]sulfanylethanoate

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-7-(1-phenylethyl)purin-8-yl]sulfanylethanoate Openeye Name: 2-[3-methyl-2,6-dioxo-7-(1-phenylethyl)purin-8-yl]sulfanylacetate CAS Name: 2-[[3-methyl-2,6-dioxo-7-(1-phenylethyl)-8-purinyl]thio]acetate IUPAC Name: 2-[3-methyl-2,6-dioxo-7-(1-phenylethyl)purin-8-yl]sulfanylacetate Traditional Name: 2-[[2,6-diketo-3-methyl-7-(1-phenylethyl)purin-8-yl]thio]acetate Formula: C16H15N4O4S- MolecularWeight: 359.3797

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C3=C(N=C2SCC(=O)[O-])N(C(=O)NC3=O)C

Isomeric SMILES

CC(C1=CC=CC=C1)N2C3=C(N=C2SCC(=O)[O-])N(C(=O)NC3=O)C

InChI

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