1,3,7-trimethyl-8-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethylsulfanyl)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethylsulfanyl)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethylthio)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethylthio)xanthine Formula: C10H11N8O2S- MolecularWeight: 307.31174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC3=NN=N[N-]3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC3=NN=N[N-]3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C10H11N8O2S/c1-16-6-7(17(2)10(20)18(3)8(6)19)11-9(16)21-4-5-12-14-15-13-5/h4H2,1-3H3/q-1