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

Systemtic Name: ethyl 2-[7-[(3-methoxyphenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbutanoate Openeye Name: ethyl 2-[7-[(3-methoxyphenyl)methyl]-3-methyl-2,6-dioxo-purin-8-yl]sulfanylbutanoate CAS Name: 2-[[7-[(3-methoxyphenyl)methyl]-3-methyl-2,6-dioxo-8-purinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[7-[(3-methoxyphenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate Traditional Name: 2-[(2,6-diketo-7-m-anisyl-3-methyl-purin-8-yl)thio]butyric acid ethyl ester Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5S/c1-5-14(18(26)29-6-2)30-20-21-16-15(17(25)22-19(27)23(16)3)24(20)11-12-8-7-9-13(10-12)28-4/h7-10,14H,5-6,11H2,1-4H3,(H,22,25,27)