butyl 2-[(3-methyl-6-oxidanylidene-pyrimido[2,1-b]quinazolin-2-yl)amino]benzoate chloride

Systemtic Name: butyl 2-[(3-methyl-6-oxidanylidene-pyrimido[2,1-b]quinazolin-2-yl)amino]benzoate chloride Openeye Name: butyl 2-[(3-methyl-6-oxo-pyrimido[2,1-b]quinazolin-2-yl)amino]benzoate chloride CAS Name: 2-[(3-methyl-6-oxo-2-pyrimido[2,1-b]quinazolinyl)amino]benzoic acid butyl ester chloride IUPAC Name: butyl 2-[(3-methyl-6-oxopyrimido[2,1-b]quinazolin-2-yl)amino]benzoate chloride Traditional Name: 2-[(6-keto-3-methyl-pyrimido[2,1-b]quinazolin-2-yl)amino]benzoic acid butyl ester chloride Formula: C23H22ClN4O3- MolecularWeight: 437.89878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1NC2=NC3=NC4=CC=CC=C4C(=O)N3C=C2C.[Cl-]

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC2=NC3=NC4=CC=CC=C4C(=O)N3C=C2C.[Cl-]

InChI

InChI=1S/C23H22N4O3.ClH/c1-3-4-13-30-22(29)17-10-6-8-12-19(17)24-20-15(2)14-27-21(28)16-9-5-7-11-18(16)25-23(27)26-20;/h5-12,14H,3-4,13H2,1-2H3,(H,24,25,26);1H/p-1