8-(3-azanylpropylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(3-azanylpropylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(3-aminopropylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(3-aminopropylthio)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(3-aminopropylsulfanyl)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(3-aminopropylthio)-1,3,7-trimethyl-xanthine Formula: C11H17N5O2S MolecularWeight: 283.34998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N5O2S/c1-14-7-8(13-10(14)19-6-4-5-12)15(2)11(18)16(3)9(7)17/h4-6,12H2,1-3H3