3-[3-methyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate

Systemtic Name: 3-[3-methyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate Openeye Name: 3-[3-methyl-2,6-dioxo-7-(p-tolylmethyl)purin-8-yl]sulfanylpropanoate CAS Name: 3-[[3-methyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]propanoate IUPAC Name: 3-[3-methyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoate Traditional Name: 3-[[2,6-diketo-3-methyl-7-(4-methylbenzyl)purin-8-yl]thio]propionate Formula: C17H17N4O4S- MolecularWeight: 373.40628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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