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

Systemtic Name: 2-(3-azanyl-5-tert-butyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-(3-amino-5-tert-butyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one CAS Name: 2-(3-amino-5-tert-butyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-(3-amino-5-tert-butyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-(3-amino-5-tert-butyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one Formula: C15H18N5O+ MolecularWeight: 284.33632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=NN1)N)C2=[NH+]C(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)C1=C(C(=NN1)N)C2=[NH+]C(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C15H17N5O/c1-15(2,3)11-10(12(16)20-19-11)13-17-9-7-5-4-6-8(9)14(21)18-13/h4-7H,1-3H3,(H3,16,19,20)(H,17,18,21)/p+1