2-[3-azanyl-5-(2-ethylbutyl)-1H-pyrazol-4-yl]-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-[3-azanyl-5-(2-ethylbutyl)-1H-pyrazol-4-yl]-1H-quinazolin-3-ium-4-one Openeye Name: 2-[3-amino-5-(2-ethylbutyl)-1H-pyrazol-4-yl]-1H-quinazolin-3-ium-4-one CAS Name: 2-[3-amino-5-(2-ethylbutyl)-1H-pyrazol-4-yl]-1H-quinazolin-3-ium-4-one IUPAC Name: 2-[3-amino-5-(2-ethylbutyl)-1H-pyrazol-4-yl]-1H-quinazolin-3-ium-4-one Traditional Name: 2-[3-amino-5-(2-ethylbutyl)-1H-pyrazol-4-yl]-1H-quinazolin-3-ium-4-one Formula: C17H22N5O+ MolecularWeight: 312.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC1=C(C(=NN1)N)C2=[NH+]C(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCC(CC)CC1=C(C(=NN1)N)C2=[NH+]C(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H21N5O/c1-3-10(4-2)9-13-14(15(18)22-21-13)16-19-12-8-6-5-7-11(12)17(23)20-16/h5-8,10H,3-4,9H2,1-2H3,(H3,18,21,22)(H,19,20,23)/p+1