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

Systemtic Name: methyl 2-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: methyl 2-[3-methyl-7-(m-tolylmethyl)-2,6-dioxo-purin-8-yl]sulfanylacetate CAS Name: 2-[[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[[2,6-diketo-3-methyl-7-(3-methylbenzyl)purin-8-yl]thio]acetic acid methyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4S/c1-10-5-4-6-11(7-10)8-21-13-14(20(2)16(24)19-15(13)23)18-17(21)26-9-12(22)25-3/h4-7H,8-9H2,1-3H3,(H,19,23,24)