ethanedioic acid; 3-ethyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione

Systemtic Name: ethanedioic acid; 3-ethyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione Openeye Name: 3-ethyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione; oxalic acid CAS Name: 3-ethyl-1-[4-(1-pyrrolidinyl)but-2-ynyl]quinazoline-2,4-dione; oxalic acid IUPAC Name: 3-ethyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione; oxalic acid Traditional Name: 3-ethyl-1-(4-pyrrolidinobut-2-ynyl)quinazoline-2,4-quinone; oxalic acid Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21N3O2.C2H2O4/c1-2-20-17(22)15-9-3-4-10-16(15)21(18(20)23)14-8-7-13-19-11-5-6-12-19;3-1(4)2(5)6/h3-4,9-10H,2,5-6,11-14H2,1H3;(H,3,4)(H,5,6)