6-chloranyl-3-(2-morpholin-4-ylethyl)-1,2-dihydroquinazolin-4-one; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 6-chloranyl-3-(2-morpholin-4-ylethyl)-1,2-dihydroquinazolin-4-one; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 6-chloro-3-(2-morpholinoethyl)-1,2-dihydroquinazolin-4-one citrate CAS Name: 6-chloro-3-[2-(4-morpholinyl)ethyl]-1,2-dihydroquinazolin-4-one; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 6-chloro-3-(2-morpholin-4-ylethyl)-1,2-dihydroquinazolin-4-one; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 6-chloro-3-(2-morpholinoethyl)-1,2-dihydroquinazolin-4-one citrate Formula: C20H23ClN3O9-3 MolecularWeight: 484.86432

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN2CNC3=C(C2=O)C=C(C=C3)Cl.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C1COCCN1CCN2CNC3=C(C2=O)C=C(C=C3)Cl.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C14H18ClN3O2.C6H8O7/c15-11-1-2-13-12(9-11)14(19)18(10-16-13)4-3-17-5-7-20-8-6-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-2,9,16H,3-8,10H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3