3,9-dimethyl-8-propan-2-ylsulfanyl-purine-2,6-dione

Systemtic Name: 3,9-dimethyl-8-propan-2-ylsulfanyl-purine-2,6-dione Openeye Name: 8-isopropylsulfanyl-3,9-dimethyl-purine-2,6-dione CAS Name: 3,9-dimethyl-8-(propan-2-ylthio)purine-2,6-dione IUPAC Name: 3,9-dimethyl-8-propan-2-ylsulfanylpurine-2,6-dione Traditional Name: 8-(isopropylthio)-3,9-dimethyl-xanthine Formula: C10H14N4O2S MolecularWeight: 254.30876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(N1C)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)SC1=NC2=C(N1C)N(C(=O)NC2=O)C

InChI

InChI=1S/C10H14N4O2S/c1-5(2)17-10-11-6-7(15)12-9(16)13(3)8(6)14(10)4/h5H,1-4H3,(H,12,15,16)