2-[[1-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-3H-purin-8-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[1-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-3H-purin-8-yl]sulfanyl]ethanamide Openeye Name: 2-[(7-allyl-1-methyl-2,6-dioxo-3H-purin-8-yl)sulfanyl]acetamide CAS Name: 2-[(1-methyl-2,6-dioxo-7-prop-2-enyl-3H-purin-8-yl)thio]acetamide IUPAC Name: 2-[(1-methyl-2,6-dioxo-7-prop-2-enyl-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: 2-[(7-allyl-2,6-diketo-1-methyl-3H-purin-8-yl)thio]acetamide Formula: C11H13N5O3S MolecularWeight: 295.31762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N=C(N2CC=C)SCC(=O)N

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N=C(N2CC=C)SCC(=O)N

InChI

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