1,3-dimethyl-7-prop-2-enyl-8-prop-2-enylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-prop-2-enyl-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 7-allyl-8-allylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-prop-2-enyl-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-prop-2-enyl-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 7-allyl-8-(allylthio)-1,3-dimethyl-xanthine Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC=C)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC=C)CC=C

InChI

InChI=1S/C13H16N4O2S/c1-5-7-17-9-10(14-12(17)20-8-6-2)15(3)13(19)16(4)11(9)18/h5-6H,1-2,7-8H2,3-4H3