3-methyl-8-(3-oxidanylpropylsulfanyl)-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(3-oxidanylpropylsulfanyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(3-hydroxypropylsulfanyl)-3-methyl-purine-2,6-dione CAS Name: 8-(3-hydroxypropylthio)-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(3-hydroxypropylsulfanyl)-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(3-hydroxypropylthio)-3-methyl-xanthine Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O3S/c1-3-5-16-8-9(13-12(16)20-7-4-6-17)15(2)11(19)14-10(8)18/h3,17H,1,4-7H2,2H3,(H,14,18,19)