8-(2-diethylaminoethylsulfanyl)-1,3,9-trimethyl-purine-2,6-dione hydrochloride

Systemtic Name: 8-(2-diethylaminoethylsulfanyl)-1,3,9-trimethyl-purine-2,6-dione hydrochloride Openeye Name: 8-(2-diethylaminoethylsulfanyl)-1,3,9-trimethyl-purine-2,6-dione hydrochloride CAS Name: 8-(2-diethylaminoethylthio)-1,3,9-trimethylpurine-2,6-dione hydrochloride IUPAC Name: 8-(2-diethylaminoethylsulfanyl)-1,3,9-trimethylpurine-2,6-dione hydrochloride Traditional Name: 8-(2-diethylaminoethylthio)-1,3,9-trimethyl-xanthine hydrochloride Formula: C14H24ClN5O2S MolecularWeight: 361.89066

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC2=C(N1C)N(C(=O)N(C2=O)C)C.Cl

Isomeric SMILES

CCN(CC)CCSC1=NC2=C(N1C)N(C(=O)N(C2=O)C)C.Cl

InChI

InChI=1S/C14H23N5O2S.ClH/c1-6-19(7-2)8-9-22-13-15-10-11(16(13)3)17(4)14(21)18(5)12(10)20;/h6-9H2,1-5H3;1H