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

Systemtic Name: 3-butyl-6-methyl-4-prop-2-ynyl-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione Openeye Name: 3-butyl-6-methyl-4-prop-2-ynyl-triazolo[4,5-d]pyrimidine-5,7-dione CAS Name: 3-butyl-6-methyl-4-prop-2-ynyltriazolo[4,5-d]pyrimidine-5,7-dione IUPAC Name: 3-butyl-6-methyl-4-prop-2-ynyltriazolo[4,5-d]pyrimidine-5,7-dione Traditional Name: 3-butyl-6-methyl-4-propargyl-triazolo[4,5-d]pyrimidine-5,7-quinone Formula: C12H15N5O2 MolecularWeight: 261.2798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C(=O)N2CC#C)C)N=N1

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C(=O)N2CC#C)C)N=N1

InChI

InChI=1S/C12H15N5O2/c1-4-6-8-17-10-9(13-14-17)11(18)15(3)12(19)16(10)7-5-2/h2H,4,6-8H2,1,3H3