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

Systemtic Name: tert-butyl 4-[[7-chloranyl-2-(diethylaminomethyl)-3-methyl-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 4-[[7-chloro-2-(diethylaminomethyl)-3-methyl-4-oxo-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[[7-chloro-2-(diethylaminomethyl)-3-methyl-4-oxo-6-quinazolinyl]methyl-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[7-chloro-2-(diethylaminomethyl)-3-methyl-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]benzoate Traditional Name: 4-[[7-chloro-2-(diethylaminomethyl)-4-keto-3-methyl-quinazolin-6-yl]methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C29H35ClN4O3 MolecularWeight: 523.0662

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=NC2=CC(=C(C=C2C(=O)N1C)CN(CC#C)C3=CC=C(C=C3)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CCN(CC)CC1=NC2=CC(=C(C=C2C(=O)N1C)CN(CC#C)C3=CC=C(C=C3)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C29H35ClN4O3/c1-8-15-34(22-13-11-20(12-14-22)28(36)37-29(4,5)6)18-21-16-23-25(17-24(21)30)31-26(32(7)27(23)35)19-33(9-2)10-3/h1,11-14,16-17H,9-10,15,18-19H2,2-7H3