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

Systemtic Name: 3-methyl-7-prop-2-enyl-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 7-allyl-8-allylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-prop-2-enyl-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-prop-2-enyl-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 7-allyl-8-(allylthio)-3-methyl-xanthine Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC=C)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC=C)CC=C

InChI

InChI=1S/C12H14N4O2S/c1-4-6-16-8-9(13-12(16)19-7-5-2)15(3)11(18)14-10(8)17/h4-5H,1-2,6-7H2,3H3,(H,14,17,18)