3-[4-(diethylamino)but-2-ynyl]-7-ethoxy-quinazolin-4-one; ethanedioic acid

Systemtic Name: 3-[4-(diethylamino)but-2-ynyl]-7-ethoxy-quinazolin-4-one; ethanedioic acid Openeye Name: 3-[4-(diethylamino)but-2-ynyl]-7-ethoxy-quinazolin-4-one; oxalic acid CAS Name: 3-[4-(diethylamino)but-2-ynyl]-7-ethoxy-4-quinazolinone; oxalic acid IUPAC Name: 3-[4-(diethylamino)but-2-ynyl]-7-ethoxyquinazolin-4-one; oxalic acid Traditional Name: 3-[4-(diethylamino)but-2-ynyl]-7-ethoxy-quinazolin-4-one; oxalic acid Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCN1C=NC2=C(C1=O)C=CC(=C2)OCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CC#CCN1C=NC2=C(C1=O)C=CC(=C2)OCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3O2.C2H2O4/c1-4-20(5-2)11-7-8-12-21-14-19-17-13-15(23-6-3)9-10-16(17)18(21)22;3-1(4)2(5)6/h9-10,13-14H,4-6,11-12H2,1-3H3;(H,3,4)(H,5,6)