8-[3-(dimethylamino)propylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[3-(dimethylamino)propylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[3-(dimethylamino)propylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[3-(dimethylamino)propylthio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[3-(dimethylamino)propylsulfanyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[3-(dimethylamino)propylthio]-1,3,7-trimethyl-xanthine Formula: C13H21N5O2S MolecularWeight: 311.40314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCCCN(C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCCCN(C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H21N5O2S/c1-15(2)7-6-8-21-12-14-10-9(16(12)3)11(19)18(5)13(20)17(10)4/h6-8H2,1-5H3