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

Systemtic Name: (phenylmethyl) 2-[3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]sulfanylethanoate Openeye Name: benzyl 2-(7-allyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(3-methyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-allyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetic acid benzyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)OCC3=CC=CC=C3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)OCC3=CC=CC=C3)CC=C

InChI

InChI=1S/C18H18N4O4S/c1-3-9-22-14-15(21(2)17(25)20-16(14)24)19-18(22)27-11-13(23)26-10-12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3,(H,20,24,25)