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

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(2-hydroxyethylsulfanyl)-3-methyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylthio)-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(2-hydroxyethylthio)-3-methyl-xanthine Formula: C11H14N4O3S MolecularWeight: 282.31886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O3S/c1-3-4-15-7-8(12-11(15)19-6-5-16)14(2)10(18)13-9(7)17/h3,16H,1,4-6H2,2H3,(H,13,17,18)