butyl 2-[(6-oxidanylidenepyrimido[2,1-b]quinazolin-2-yl)amino]benzoate hydrochloride

Systemtic Name: butyl 2-[(6-oxidanylidenepyrimido[2,1-b]quinazolin-2-yl)amino]benzoate hydrochloride Openeye Name: butyl 2-[(6-oxopyrimido[2,1-b]quinazolin-2-yl)amino]benzoate hydrochloride CAS Name: 2-[(6-oxo-2-pyrimido[2,1-b]quinazolinyl)amino]benzoic acid butyl ester hydrochloride IUPAC Name: butyl 2-[(6-oxopyrimido[2,1-b]quinazolin-2-yl)amino]benzoate hydrochloride Traditional Name: 2-[(6-ketopyrimido[2,1-b]quinazolin-2-yl)amino]benzoic acid butyl ester hydrochloride Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1NC2=NC3=NC4=CC=CC=C4C(=O)N3C=C2.Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC2=NC3=NC4=CC=CC=C4C(=O)N3C=C2.Cl

InChI

InChI=1S/C22H20N4O3.ClH/c1-2-3-14-29-21(28)16-9-5-7-11-18(16)23-19-12-13-26-20(27)15-8-4-6-10-17(15)24-22(26)25-19;/h4-13H,2-3,14H2,1H3,(H,23,24,25);1H