[2-oxidanylidene-6-[(prop-2-ynylamino)methyl]-1,4-dihydroquinazolin-3-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [2-oxidanylidene-6-[(prop-2-ynylamino)methyl]-1,4-dihydroquinazolin-3-yl]methyl 2,2-dimethylpropanoate Openeye Name: [2-oxo-6-[(prop-2-ynylamino)methyl]-1,4-dihydroquinazolin-3-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-oxo-6-[(prop-2-ynylamino)methyl]-1,4-dihydroquinazolin-3-yl]methyl ester IUPAC Name: [2-oxo-6-[(prop-2-ynylamino)methyl]-1,4-dihydroquinazolin-3-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-keto-6-[(propargylamino)methyl]-1,4-dihydroquinazolin-3-yl]methyl ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1CC2=C(C=CC(=C2)CNCC#C)NC1=O

Isomeric SMILES

CC(C)(C)C(=O)OCN1CC2=C(C=CC(=C2)CNCC#C)NC1=O

InChI

InChI=1S/C18H23N3O3/c1-5-8-19-10-13-6-7-15-14(9-13)11-21(17(23)20-15)12-24-16(22)18(2,3)4/h1,6-7,9,19H,8,10-12H2,2-4H3,(H,20,23)