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

Systemtic Name: 8-(2-azanylethylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(2-aminoethylsulfanyl)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(2-aminoethylthio)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(2-aminoethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(2-aminoethylthio)-1,3,7-trimethyl-xanthine Formula: C10H15N5O2S MolecularWeight: 269.3234

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCCN)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCCN)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C10H15N5O2S/c1-13-6-7(12-9(13)18-5-4-11)14(2)10(17)15(3)8(6)16/h4-5,11H2,1-3H3