7-[(E)-but-2-enyl]-3-methyl-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione

Systemtic Name: 7-[(E)-but-2-enyl]-3-methyl-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-7-[(E)-but-2-enyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-3-methyl-8-(2-oxopropylthio)purine-2,6-dione IUPAC Name: 7-[(E)-but-2-enyl]-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione Traditional Name: 8-(acetonylthio)-7-[(E)-but-2-enyl]-3-methyl-xanthine Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

C/C=C/CN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H16N4O3S/c1-4-5-6-17-9-10(14-13(17)21-7-8(2)18)16(3)12(20)15-11(9)19/h4-5H,6-7H2,1-3H3,(H,15,19,20)/b5-4+