5-azanyl-3,7a-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one; tetrabutylazanium

Systemtic Name: 5-azanyl-3,7a-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one; tetrabutylazanium Openeye Name: 5-amino-3,7a-dihydrotriazolo[4,5-d]pyrimidin-7-one; tetrabutylammonium CAS Name: 5-amino-3,7a-dihydrotriazolo[4,5-d]pyrimidin-7-one; tetrabutylammonium IUPAC Name: 5-amino-3,7a-dihydrotriazolo[4,5-d]pyrimidin-7-one; tetrabutylazanium Traditional Name: 5-amino-3,7a-dihydrotriazolo[4,5-d]pyrimidin-7-one; tetrabutylammonium Formula: C24H44N13O2+ MolecularWeight: 546.69206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C12C(=NC(=NC1=O)N)NN=N2.C12C(=NC(=NC1=O)N)NN=N2

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C12C(=NC(=NC1=O)N)NN=N2.C12C(=NC(=NC1=O)N)NN=N2

InChI

InChI=1S/C16H36N.2C4H4N6O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*5-4-6-2-1(3(11)7-4)8-10-9-2/h5-16H2,1-4H3;2*1H,(H3,5,6,7,8,9,11)/q+1;;