7-(2-methoxyethyl)-3-methyl-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-(2-oxopropylthio)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione Traditional Name: 8-(acetonylthio)-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

Isomeric SMILES

CC(=O)CSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

InChI

InChI=1S/C12H16N4O4S/c1-7(17)6-21-12-13-9-8(16(12)4-5-20-3)10(18)14-11(19)15(9)2/h4-6H2,1-3H3,(H,14,18,19)