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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2SCCC(=O)O)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2SCCC(=O)O)N(C(=O)NC3=O)C

InChI

InChI=1S/C17H18N4O4S/c1-10-4-3-5-11(8-10)9-21-13-14(20(2)16(25)19-15(13)24)18-17(21)26-7-6-12(22)23/h3-5,8H,6-7,9H2,1-2H3,(H,22,23)(H,19,24,25)