tert-butyl 4-[[7-chloranyl-2-(hydroxymethyl)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate

Systemtic Name: tert-butyl 4-[[7-chloranyl-2-(hydroxymethyl)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 4-[[7-chloro-2-(hydroxymethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[[7-chloro-2-(hydroxymethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[7-chloro-2-(hydroxymethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoate Traditional Name: 4-[(7-chloro-4-keto-2-methylol-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C24H24ClN3O4 MolecularWeight: 453.91806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)N(CC#C)CC2=C(C=C3C(=C2)C(=O)N=C(N3)CO)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)N(CC#C)CC2=C(C=C3C(=C2)C(=O)N=C(N3)CO)Cl

InChI

InChI=1S/C24H24ClN3O4/c1-5-10-28(17-8-6-15(7-9-17)23(31)32-24(2,3)4)13-16-11-18-20(12-19(16)25)26-21(14-29)27-22(18)30/h1,6-9,11-12,29H,10,13-14H2,2-4H3,(H,26,27,30)