(phenylmethyl) 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanylethanoate Openeye Name: benzyl 2-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanylacetate CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]acetic acid benzyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)OCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)OCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H22N4O4S/c1-4-10-23-15-16(21(2)19(26)22(3)17(15)25)20-18(23)28-12-14(24)27-11-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3