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

Systemtic Name: ethyl 2-[(3-methyl-6-oxidanylidene-pyrimido[2,1-b]quinazolin-2-yl)amino]benzoate chloride Openeye Name: ethyl 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 ethyl ester chloride IUPAC Name: ethyl 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 ethyl ester chloride Formula: C21H18ClN4O3- MolecularWeight: 409.84562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3.ClH/c1-3-28-20(27)15-9-5-7-11-17(15)22-18-13(2)12-25-19(26)14-8-4-6-10-16(14)23-21(25)24-18;/h4-12H,3H2,1-2H3,(H,22,23,24);1H/p-1