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

Systemtic Name: 7-[(E)-but-2-enyl]-3-methyl-8-methylsulfanyl-purine-2,6-dione Openeye Name: 7-[(E)-but-2-enyl]-3-methyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-3-methyl-8-(methylthio)purine-2,6-dione IUPAC Name: 7-[(E)-but-2-enyl]-3-methyl-8-methylsulfanylpurine-2,6-dione Traditional Name: 7-[(E)-but-2-enyl]-3-methyl-8-(methylthio)xanthine Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=C(N=C1SC)N(C(=O)NC2=O)C

Isomeric SMILES

C/C=C/CN1C2=C(N=C1SC)N(C(=O)NC2=O)C

InChI

InChI=1S/C11H14N4O2S/c1-4-5-6-15-7-8(12-11(15)18-3)14(2)10(17)13-9(7)16/h4-5H,6H2,1-3H3,(H,13,16,17)/b5-4+