7-(2-methoxyethyl)-3-methyl-8-prop-2-enylsulfanyl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-7-(2-methoxyethyl)-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)SCC=C)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O3S/c1-4-7-20-12-13-9-8(16(12)5-6-19-3)10(17)14-11(18)15(9)2/h4H,1,5-7H2,2-3H3,(H,14,17,18)