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

Systemtic Name: 2-(3-azanyl-5-butyl-2-methyl-1H-pyrazol-2-ium-4-yl)-1H-quinazolin-4-one Openeye Name: 2-(3-amino-5-butyl-2-methyl-1H-pyrazol-2-ium-4-yl)-1H-quinazolin-4-one CAS Name: 2-(3-amino-5-butyl-2-methyl-1H-pyrazol-2-ium-4-yl)-1H-quinazolin-4-one IUPAC Name: 2-(3-amino-5-butyl-2-methyl-1H-pyrazol-2-ium-4-yl)-1H-quinazolin-4-one Traditional Name: 2-(3-amino-5-butyl-2-methyl-1H-pyrazol-2-ium-4-yl)-1H-quinazolin-4-one Formula: C16H20N5O+ MolecularWeight: 298.3629

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=[N+](N1)C)N)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCCC1=C(C(=[N+](N1)C)N)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C16H19N5O/c1-3-4-8-12-13(14(17)21(2)20-12)15-18-11-9-6-5-7-10(11)16(22)19-15/h5-7,9H,3-4,8H2,1-2H3,(H3,17,18,19,20,22)/p+1