methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate

Systemtic Name: methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetate CAS Name: 2-[[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxo-8-purinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[[7-[(E)-but-2-enyl]-2,6-diketo-3-methyl-purin-8-yl]thio]acetic acid methyl ester Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C

Isomeric SMILES

C/C=C/CN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H16N4O4S/c1-4-5-6-17-9-10(16(2)12(20)15-11(9)19)14-13(17)22-7-8(18)21-3/h4-5H,6-7H2,1-3H3,(H,15,19,20)/b5-4+