3-methyl-7-pentyl-8-prop-2-enylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-pentyl-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-7-pentyl-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-pentyl-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-7-amyl-3-methyl-xanthine Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC=C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCC=C)N(C(=O)NC2=O)C

InChI

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