8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylthio)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(2-hydroxyethylthio)-1,3-dimethyl-xanthine Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O3S/c1-4-5-16-8-9(13-11(16)20-7-6-17)14(2)12(19)15(3)10(8)18/h4,17H,1,5-7H2,2-3H3