3,6-dimethyl-4-prop-2-ynyl-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione

Systemtic Name: 3,6-dimethyl-4-prop-2-ynyl-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione Openeye Name: 3,6-dimethyl-4-prop-2-ynyl-triazolo[4,5-d]pyrimidine-5,7-dione CAS Name: 3,6-dimethyl-4-prop-2-ynyltriazolo[4,5-d]pyrimidine-5,7-dione IUPAC Name: 3,6-dimethyl-4-prop-2-ynyltriazolo[4,5-d]pyrimidine-5,7-dione Traditional Name: 3,6-dimethyl-4-propargyl-triazolo[4,5-d]pyrimidine-5,7-quinone Formula: C9H9N5O2 MolecularWeight: 219.20006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2CC#C)C)N=N1

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2CC#C)C)N=N1

InChI

InChI=1S/C9H9N5O2/c1-4-5-14-7-6(10-11-13(7)3)8(15)12(2)9(14)16/h1H,5H2,2-3H3