tert-butyl 4-[[7-chloranyl-2-(hydroxymethyl)-3-methyl-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate

Systemtic Name: tert-butyl 4-[[7-chloranyl-2-(hydroxymethyl)-3-methyl-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 4-[[7-chloro-2-(hydroxymethyl)-3-methyl-4-oxo-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[[7-chloro-2-(hydroxymethyl)-3-methyl-4-oxo-6-quinazolinyl]methyl-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[7-chloro-2-(hydroxymethyl)-3-methyl-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]benzoate Traditional Name: 4-[(7-chloro-4-keto-3-methyl-2-methylol-quinazolin-6-yl)methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C25H26ClN3O4 MolecularWeight: 467.94464

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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)C)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)C)Cl

InChI

InChI=1S/C25H26ClN3O4/c1-6-11-29(18-9-7-16(8-10-18)24(32)33-25(2,3)4)14-17-12-19-21(13-20(17)26)27-22(15-30)28(5)23(19)31/h1,7-10,12-13,30H,11,14-15H2,2-5H3