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

Systemtic Name: 8-[(E)-but-2-enyl]sulfanyl-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-[(E)-but-2-enyl]sulfanyl-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-[[(E)-but-2-enyl]thio]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-[(E)-but-2-enyl]sulfanyl-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-[[(E)-but-2-enyl]thio]-3-methyl-7-propyl-xanthine Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC=CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SC/C=C/C)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H18N4O2S/c1-4-6-8-20-13-14-10-9(17(13)7-5-2)11(18)15-12(19)16(10)3/h4,6H,5,7-8H2,1-3H3,(H,15,18,19)/b6-4+