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

Systemtic Name: 2-[5-azanyl-1-(2-methoxyethyl)-3-oxidanylidene-1,2-dihydropyrrol-1-ium-4-yl]quinazolin-4-olate Openeye Name: 2-[5-amino-1-(2-methoxyethyl)-3-oxo-1,2-dihydropyrrol-1-ium-4-yl]quinazolin-4-olate CAS Name: 2-[5-amino-1-(2-methoxyethyl)-3-oxo-1,2-dihydropyrrol-1-ium-4-yl]-4-quinazolinolate IUPAC Name: 2-[5-amino-1-(2-methoxyethyl)-3-oxo-1,2-dihydropyrrol-1-ium-4-yl]quinazolin-4-olate Traditional Name: 2-[2-amino-4-keto-1-(2-methoxyethyl)-2-pyrrolin-1-ium-3-yl]quinazolin-4-olate Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CC(=O)C(=C1N)C2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

COCC[NH+]1CC(=O)C(=C1N)C2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C15H16N4O3/c1-22-7-6-19-8-11(20)12(13(19)16)14-17-10-5-3-2-4-9(10)15(21)18-14/h2-5H,6-8,16H2,1H3,(H,17,18,21)