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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CC=CC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCSC1=NC2=C(N1C/C=C/C)C(=O)NC(=O)N2C

InChI

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