3-butyl-6-methyl-2H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione

Systemtic Name: 3-butyl-6-methyl-2H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione Openeye Name: 3-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione CAS Name: 3-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione IUPAC Name: 3-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione Traditional Name: 3-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-quinone Formula: C9H13N5O2 MolecularWeight: 223.23182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NC(=O)N(C(=O)C2=NN1)C

Isomeric SMILES

CCCCN1C2=NC(=O)N(C(=O)C2=NN1)C

InChI

InChI=1S/C9H13N5O2/c1-3-4-5-14-7-6(11-12-14)8(15)13(2)9(16)10-7/h12H,3-5H2,1-2H3