methyl 2-[1,3-dimethyl-7-(naphthalen-1-ylmethyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1,3-dimethyl-7-(naphthalen-1-ylmethyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: methyl 2-[1,3-dimethyl-7-(1-naphthylmethyl)-2,6-dioxo-purin-8-yl]sulfanylacetate CAS Name: 2-[[1,3-dimethyl-7-(1-naphthalenylmethyl)-2,6-dioxo-8-purinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1,3-dimethyl-7-(naphthalen-1-ylmethyl)-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[[2,6-diketo-1,3-dimethyl-7-(1-naphthylmethyl)purin-8-yl]thio]acetic acid methyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)OC)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)OC)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H20N4O4S/c1-23-18-17(19(27)24(2)21(23)28)25(20(22-18)30-12-16(26)29-3)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,11-12H2,1-3H3