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

Systemtic Name: 3-butyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione; ethanedioic acid Openeye Name: 3-butyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione; oxalic acid CAS Name: 3-butyl-1-[4-(1-pyrrolidinyl)but-2-ynyl]quinazoline-2,4-dione; oxalic acid IUPAC Name: 3-butyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione; oxalic acid Traditional Name: 3-butyl-1-(4-pyrrolidinobut-2-ynyl)quinazoline-2,4-quinone; oxalic acid Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O2.C2H2O4/c1-2-3-15-23-19(24)17-10-4-5-11-18(17)22(20(23)25)16-9-8-14-21-12-6-7-13-21;3-1(4)2(5)6/h4-5,10-11H,2-3,6-7,12-16H2,1H3;(H,3,4)(H,5,6)