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

Systemtic Name: 3-methyl-7-prop-2-enyl-8-propylsulfanyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-propylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-prop-2-enyl-8-(propylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-prop-2-enyl-8-propylsulfanylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-(propylthio)xanthine Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O2S/c1-4-6-16-8-9(13-12(16)19-7-5-2)15(3)11(18)14-10(8)17/h4H,1,5-7H2,2-3H3,(H,14,17,18)