2-[5-(5-chloranylpyridin-3-yl)-2-(diethylamino)-8-methoxy-quinazolin-7-yl]prop-2-enoic acid

Systemtic Name: 2-[5-(5-chloranylpyridin-3-yl)-2-(diethylamino)-8-methoxy-quinazolin-7-yl]prop-2-enoic acid Openeye Name: 2-[5-(5-chloro-3-pyridyl)-2-(diethylamino)-8-methoxy-quinazolin-7-yl]prop-2-enoic acid CAS Name: 2-[5-(5-chloro-3-pyridinyl)-2-(diethylamino)-8-methoxy-7-quinazolinyl]-2-propenoic acid IUPAC Name: 2-[5-(5-chloropyridin-3-yl)-2-(diethylamino)-8-methoxyquinazolin-7-yl]prop-2-enoic acid Traditional Name: 2-[5-(5-chloro-3-pyridyl)-2-(diethylamino)-8-methoxy-quinazolin-7-yl]acrylic acid Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=C2C(=CC(=C(C2=N1)OC)C(=C)C(=O)O)C3=CC(=CN=C3)Cl

Isomeric SMILES

CCN(CC)C1=NC=C2C(=CC(=C(C2=N1)OC)C(=C)C(=O)O)C3=CC(=CN=C3)Cl

InChI

InChI=1S/C21H21ClN4O3/c1-5-26(6-2)21-24-11-17-16(13-7-14(22)10-23-9-13)8-15(12(3)20(27)28)19(29-4)18(17)25-21/h7-11H,3,5-6H2,1-2,4H3,(H,27,28)