1,3-dimethyl-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethyl)xanthine Formula: C9H9N8O2- MolecularWeight: 261.22016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NN=N[N-]3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NN=N[N-]3

InChI

InChI=1S/C9H9N8O2/c1-15-7-6(8(18)16(2)9(15)19)17(4-10-7)3-5-11-13-14-12-5/h4H,3H2,1-2H3/q-1