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

Systemtic Name: ethyl 2-[3-methyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbutanoate Openeye Name: ethyl 2-[3-methyl-2,6-dioxo-7-(p-tolylmethyl)purin-8-yl]sulfanylbutanoate CAS Name: 2-[[3-methyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[3-methyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylbutanoate Traditional Name: 2-[[2,6-diketo-3-methyl-7-(4-methylbenzyl)purin-8-yl]thio]butyric acid ethyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H24N4O4S/c1-5-14(18(26)28-6-2)29-20-21-16-15(17(25)22-19(27)23(16)4)24(20)11-13-9-7-12(3)8-10-13/h7-10,14H,5-6,11H2,1-4H3,(H,22,25,27)