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

Systemtic Name: 8-(2-azanylethylsulfanyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(2-aminoethylsulfanyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(2-aminoethylthio)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(2-aminoethylsulfanyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(2-aminoethylthio)-3,7-dimethyl-xanthine Formula: C9H13N5O2S MolecularWeight: 255.29682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCCN)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1SCCN)N(C(=O)NC2=O)C

InChI

InChI=1S/C9H13N5O2S/c1-13-5-6(11-9(13)17-4-3-10)14(2)8(16)12-7(5)15/h3-4,10H2,1-2H3,(H,12,15,16)