3-[4-(diethylamino)but-2-ynyl]-1,2-dihydroquinazolin-4-one; ethanedioate

Systemtic Name: 3-[4-(diethylamino)but-2-ynyl]-1,2-dihydroquinazolin-4-one; ethanedioate Openeye Name: 3-[4-(diethylamino)but-2-ynyl]-1,2-dihydroquinazolin-4-one; oxalate CAS Name: 3-[4-(diethylamino)but-2-ynyl]-1,2-dihydroquinazolin-4-one; oxalate IUPAC Name: 3-[4-(diethylamino)but-2-ynyl]-1,2-dihydroquinazolin-4-one; oxalate Traditional Name: 3-[4-(diethylamino)but-2-ynyl]-1,2-dihydroquinazolin-4-one; oxalate Formula: C18H21N3O5-2 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCN1CNC2=CC=CC=C2C1=O.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCN(CC)CC#CCN1CNC2=CC=CC=C2C1=O.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C16H21N3O.C2H2O4/c1-3-18(4-2)11-7-8-12-19-13-17-15-10-6-5-9-14(15)16(19)20;3-1(4)2(5)6/h5-6,9-10,17H,3-4,11-13H2,1-2H3;(H,3,4)(H,5,6)/p-2