2-[5-azanyl-1-(2-hydroxyethyl)-3-oxidanylidene-1,2-dihydropyrrol-1-ium-4-yl]quinazolin-4-olate

Systemtic Name: 2-[5-azanyl-1-(2-hydroxyethyl)-3-oxidanylidene-1,2-dihydropyrrol-1-ium-4-yl]quinazolin-4-olate Openeye Name: 2-[5-amino-1-(2-hydroxyethyl)-3-oxo-1,2-dihydropyrrol-1-ium-4-yl]quinazolin-4-olate CAS Name: 2-[5-amino-1-(2-hydroxyethyl)-3-oxo-1,2-dihydropyrrol-1-ium-4-yl]-4-quinazolinolate IUPAC Name: 2-[5-amino-1-(2-hydroxyethyl)-3-oxo-1,2-dihydropyrrol-1-ium-4-yl]quinazolin-4-olate Traditional Name: 2-[2-amino-1-(2-hydroxyethyl)-4-keto-2-pyrrolin-1-ium-3-yl]quinazolin-4-olate Formula: C14H14N4O3 MolecularWeight: 286.28596

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C([NH+]1CCO)N)C2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

C1C(=O)C(=C([NH+]1CCO)N)C2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C14H14N4O3/c15-12-11(10(20)7-18(12)5-6-19)13-16-9-4-2-1-3-8(9)14(21)17-13/h1-4,19H,5-7,15H2,(H,16,17,21)