2-(3-azanyl-5-ethyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-(3-azanyl-5-ethyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-(3-amino-5-ethyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one CAS Name: 2-(3-amino-5-ethyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-(3-amino-5-ethyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-(3-amino-5-ethyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one Formula: C13H14N5O+ MolecularWeight: 256.28316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1)N)C2=[NH+]C(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCC1=C(C(=NN1)N)C2=[NH+]C(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C13H13N5O/c1-2-8-10(11(14)18-17-8)12-15-9-6-4-3-5-7(9)13(19)16-12/h3-6H,2H2,1H3,(H3,14,17,18)(H,15,16,19)/p+1