2-[3-methyl-2,6-bis(oxidanylidene)-8-(2-oxidanylidenepropylsulfanyl)purin-7-yl]ethanamide

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-8-(2-oxidanylidenepropylsulfanyl)purin-7-yl]ethanamide Openeye Name: 2-(8-acetonylsulfanyl-3-methyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: 2-[3-methyl-2,6-dioxo-8-(2-oxopropylthio)-7-purinyl]acetamide IUPAC Name: 2-[3-methyl-2,6-dioxo-8-(2-oxopropylsulfanyl)purin-7-yl]acetamide Traditional Name: 2-[8-(acetonylthio)-2,6-diketo-3-methyl-purin-7-yl]acetamide Formula: C11H13N5O4S MolecularWeight: 311.31702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(N1CC(=O)N)C(=O)NC(=O)N2C

Isomeric SMILES

CC(=O)CSC1=NC2=C(N1CC(=O)N)C(=O)NC(=O)N2C

InChI

InChI=1S/C11H13N5O4S/c1-5(17)4-21-11-13-8-7(16(11)3-6(12)18)9(19)14-10(20)15(8)2/h3-4H2,1-2H3,(H2,12,18)(H,14,19,20)