2-[3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]sulfanylethanamide

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]sulfanylethanamide Openeye Name: 2-(7-allyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide CAS Name: 2-[(3-methyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)thio]acetamide IUPAC Name: 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylacetamide Traditional Name: 2-[(7-allyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetamide Formula: C11H13N5O3S MolecularWeight: 295.31762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)N)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)N)CC=C

InChI

InChI=1S/C11H13N5O3S/c1-3-4-16-7-8(13-11(16)20-5-6(12)17)15(2)10(19)14-9(7)18/h3H,1,4-5H2,2H3,(H2,12,17)(H,14,18,19)