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

Systemtic Name: (phenylmethyl) 2-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: benzyl 2-[1,3-dimethyl-7-(m-tolylmethyl)-2,6-dioxo-purin-8-yl]sulfanylacetate CAS Name: 2-[[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[[2,6-diketo-1,3-dimethyl-7-(3-methylbenzyl)purin-8-yl]thio]acetic acid benzyl ester Formula: C24H24N4O4S MolecularWeight: 464.53676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2SCC(=O)OCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2SCC(=O)OCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C24H24N4O4S/c1-16-8-7-11-18(12-16)13-28-20-21(26(2)24(31)27(3)22(20)30)25-23(28)33-15-19(29)32-14-17-9-5-4-6-10-17/h4-12H,13-15H2,1-3H3