2-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid Openeye Name: 2-[3-methyl-7-(m-tolylmethyl)-2,6-dioxo-purin-8-yl]sulfanylacetic acid CAS Name: 2-[[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]acetic acid IUPAC Name: 2-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylacetic acid Traditional Name: 2-[[2,6-diketo-3-methyl-7-(3-methylbenzyl)purin-8-yl]thio]acetic acid Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2SCC(=O)O)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2SCC(=O)O)N(C(=O)NC3=O)C

InChI

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