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

Systemtic Name: 2-(3-azanyl-5-cyclopropyl-2-methyl-1H-pyrazol-2-ium-4-yl)-1H-quinazolin-4-one Openeye Name: 2-(3-amino-5-cyclopropyl-2-methyl-1H-pyrazol-2-ium-4-yl)-1H-quinazolin-4-one CAS Name: 2-(3-amino-5-cyclopropyl-2-methyl-1H-pyrazol-2-ium-4-yl)-1H-quinazolin-4-one IUPAC Name: 2-(3-amino-5-cyclopropyl-2-methyl-1H-pyrazol-2-ium-4-yl)-1H-quinazolin-4-one Traditional Name: 2-(3-amino-5-cyclopropyl-2-methyl-1H-pyrazol-2-ium-4-yl)-1H-quinazolin-4-one Formula: C15H16N5O+ MolecularWeight: 282.32044

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=C(N1)C2CC2)C3=NC(=O)C4=CC=CC=C4N3)N

Isomeric SMILES

C[N+]1=C(C(=C(N1)C2CC2)C3=NC(=O)C4=CC=CC=C4N3)N

InChI

InChI=1S/C15H15N5O/c1-20-13(16)11(12(19-20)8-6-7-8)14-17-10-5-3-2-4-9(10)15(21)18-14/h2-5,8H,6-7H2,1H3,(H3,16,17,18,19,21)/p+1