8-(2-hydroxyethylsulfanyl)-3-methyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(2-hydroxyethylsulfanyl)-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylthio)-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylthio)-7-isopropyl-3-methyl-xanthine Formula: C11H16N4O3S MolecularWeight: 284.33474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCCO)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C11H16N4O3S/c1-6(2)15-7-8(12-11(15)19-5-4-16)14(3)10(18)13-9(7)17/h6,16H,4-5H2,1-3H3,(H,13,17,18)