8-[2-[di(propan-2-yl)amino]ethylsulfanyl]-1,3,9-trimethyl-purine-2,6-dione

Systemtic Name: 8-[2-[di(propan-2-yl)amino]ethylsulfanyl]-1,3,9-trimethyl-purine-2,6-dione Openeye Name: 8-[2-(diisopropylamino)ethylsulfanyl]-1,3,9-trimethyl-purine-2,6-dione CAS Name: 8-[2-[di(propan-2-yl)amino]ethylthio]-1,3,9-trimethylpurine-2,6-dione IUPAC Name: 8-[2-[di(propan-2-yl)amino]ethylsulfanyl]-1,3,9-trimethylpurine-2,6-dione Traditional Name: 8-[2-(diisopropylamino)ethylthio]-1,3,9-trimethyl-xanthine Formula: C16H27N5O2S MolecularWeight: 353.48288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCSC1=NC2=C(N1C)N(C(=O)N(C2=O)C)C)C(C)C

Isomeric SMILES

CC(C)N(CCSC1=NC2=C(N1C)N(C(=O)N(C2=O)C)C)C(C)C

InChI

InChI=1S/C16H27N5O2S/c1-10(2)21(11(3)4)8-9-24-15-17-12-13(18(15)5)19(6)16(23)20(7)14(12)22/h10-11H,8-9H2,1-7H3