ethyl 2-[3-methyl-2,6-bis(oxidanylidene)-9-prop-2-enyl-purin-8-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-methyl-2,6-bis(oxidanylidene)-9-prop-2-enyl-purin-8-yl]sulfanylethanoate Openeye Name: ethyl 2-(9-allyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(3-methyl-2,6-dioxo-9-prop-2-enyl-8-purinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-methyl-2,6-dioxo-9-prop-2-enylpurin-8-yl)sulfanylacetate Traditional Name: 2-[(9-allyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetic acid ethyl ester Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(N1CC=C)N(C(=O)NC2=O)C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(N1CC=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H16N4O4S/c1-4-6-17-11-9(10(19)15-12(20)16(11)3)14-13(17)22-7-8(18)21-5-2/h4H,1,5-7H2,2-3H3,(H,15,19,20)