[4-oxidanylidene-6-[(prop-2-ynylamino)methyl]quinazolin-3-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-oxidanylidene-6-[(prop-2-ynylamino)methyl]quinazolin-3-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-oxo-6-[(prop-2-ynylamino)methyl]quinazolin-3-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-oxo-6-[(prop-2-ynylamino)methyl]-3-quinazolinyl]methyl ester IUPAC Name: [4-oxo-6-[(prop-2-ynylamino)methyl]quinazolin-3-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-keto-6-[(propargylamino)methyl]quinazolin-3-yl]methyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=NC2=C(C1=O)C=C(C=C2)CNCC#C

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=NC2=C(C1=O)C=C(C=C2)CNCC#C

InChI

InChI=1S/C18H21N3O3/c1-5-8-19-10-13-6-7-15-14(9-13)16(22)21(11-20-15)12-24-17(23)18(2,3)4/h1,6-7,9,11,19H,8,10,12H2,2-4H3