4-[[7-chloranyl-2-(2-hydroxyethyl)-3-methyl-4-oxidanylidene-quinazolin-6-yl]-(prop-2-ynylamino)methyl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 4-[[7-chloranyl-2-(2-hydroxyethyl)-3-methyl-4-oxidanylidene-quinazolin-6-yl]-(prop-2-ynylamino)methyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[[7-chloro-2-(2-hydroxyethyl)-3-methyl-4-oxo-quinazolin-6-yl]-(prop-2-ynylamino)methyl]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[[7-chloro-2-(2-hydroxyethyl)-3-methyl-4-oxo-6-quinazolinyl]-(prop-2-ynylamino)methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[[7-chloro-2-(2-hydroxyethyl)-3-methyl-4-oxoquinazolin-6-yl]-(prop-2-ynylamino)methyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[[7-chloro-2-(2-hydroxyethyl)-4-keto-3-methyl-quinazolin-6-yl]-(propargylamino)methyl]-N-(3-pyridylmethyl)benzamide Formula: C28H26ClN5O3 MolecularWeight: 515.99074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC(=C(C=C2C1=O)C(C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)NCC#C)Cl)CCO

Isomeric SMILES

CN1C(=NC2=CC(=C(C=C2C1=O)C(C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)NCC#C)Cl)CCO

InChI

InChI=1S/C28H26ClN5O3/c1-3-11-31-26(19-6-8-20(9-7-19)27(36)32-17-18-5-4-12-30-16-18)21-14-22-24(15-23(21)29)33-25(10-13-35)34(2)28(22)37/h1,4-9,12,14-16,26,31,35H,10-11,13,17H2,2H3,(H,32,36)