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

Systemtic Name: 2-[3-azanyl-5-(2-ethylbutyl)-2-methyl-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one Openeye Name: 2-[3-amino-5-(2-ethylbutyl)-2-methyl-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one CAS Name: 2-[3-amino-5-(2-ethylbutyl)-2-methyl-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one IUPAC Name: 2-[3-amino-5-(2-ethylbutyl)-2-methyl-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one Traditional Name: 2-[3-amino-5-(2-ethylbutyl)-2-methyl-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one Formula: C18H24N5O+ MolecularWeight: 326.41606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC1=C(C(=[N+](N1)C)N)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCC(CC)CC1=C(C(=[N+](N1)C)N)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H23N5O/c1-4-11(5-2)10-14-15(16(19)23(3)22-14)17-20-13-9-7-6-8-12(13)18(24)21-17/h6-9,11H,4-5,10H2,1-3H3,(H3,19,20,21,22,24)/p+1