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

Systemtic Name: tert-butyl 4-[[7-chloranyl-3-methyl-2-(methylsulfonyloxymethyl)-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 4-[[7-chloro-3-methyl-2-(methylsulfonyloxymethyl)-4-oxo-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[[7-chloro-3-methyl-2-(methylsulfonyloxymethyl)-4-oxo-6-quinazolinyl]methyl-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[7-chloro-3-methyl-2-(methylsulfonyloxymethyl)-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]benzoate Traditional Name: 4-[[7-chloro-4-keto-3-methyl-2-(methylsulfonyloxymethyl)quinazolin-6-yl]methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C26H28ClN3O6S MolecularWeight: 546.03502

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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)COS(=O)(=O)C)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)COS(=O)(=O)C)C)Cl

InChI

InChI=1S/C26H28ClN3O6S/c1-7-12-30(19-10-8-17(9-11-19)25(32)36-26(2,3)4)15-18-13-20-22(14-21(18)27)28-23(29(5)24(20)31)16-35-37(6,33)34/h1,8-11,13-14H,12,15-16H2,2-6H3