3-methyl-8-pentylsulfanyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-pentylsulfanyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-pentylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-8-(pentylthio)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-pentylsulfanyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(amylthio)-3-methyl-xanthine Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O2S/c1-4-6-7-9-21-14-15-11-10(18(14)8-5-2)12(19)16-13(20)17(11)3/h5H,2,4,6-9H2,1,3H3,(H,16,19,20)