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

Systemtic Name: 1,3-dimethyl-8-(2-oxidanylidenepropylsulfanyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-7-allyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(2-oxopropylthio)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-oxopropylsulfanyl)-7-prop-2-enylpurine-2,6-dione Traditional Name: 8-(acetonylthio)-7-allyl-1,3-dimethyl-xanthine Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3S/c1-5-6-17-9-10(14-12(17)21-7-8(2)18)15(3)13(20)16(4)11(9)19/h5H,1,6-7H2,2-4H3