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

Systemtic Name: 7-[(E)-but-2-enyl]-3-methyl-8-pentylsulfanyl-purine-2,6-dione Openeye Name: 7-[(E)-but-2-enyl]-3-methyl-8-pentylsulfanyl-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-3-methyl-8-(pentylthio)purine-2,6-dione IUPAC Name: 7-[(E)-but-2-enyl]-3-methyl-8-pentylsulfanylpurine-2,6-dione Traditional Name: 8-(amylthio)-7-[(E)-but-2-enyl]-3-methyl-xanthine Formula: C15H22N4O2S MolecularWeight: 322.42578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1CC=CC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCSC1=NC2=C(N1C/C=C/C)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H22N4O2S/c1-4-6-8-10-22-15-16-12-11(19(15)9-7-5-2)13(20)17-14(21)18(12)3/h5,7H,4,6,8-10H2,1-3H3,(H,17,20,21)/b7-5+