7-ethanoyl-1,3-dimethyl-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione

Systemtic Name: 7-ethanoyl-1,3-dimethyl-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-7-acetyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-acetyl-1,3-dimethyl-8-(2-oxopropylthio)purine-2,6-dione IUPAC Name: 7-acetyl-1,3-dimethyl-8-(2-oxopropylsulfanyl)purine-2,6-dione Traditional Name: 8-(acetonylthio)-7-acetyl-1,3-dimethyl-xanthine Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(N1C(=O)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(=O)CSC1=NC2=C(N1C(=O)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H14N4O4S/c1-6(17)5-21-11-13-9-8(16(11)7(2)18)10(19)15(4)12(20)14(9)3/h5H2,1-4H3