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

Systemtic Name: 6-chloranyl-3-(2-diethylaminoethyl)-1,2-dihydroquinazolin-4-one; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 6-chloro-3-(2-diethylaminoethyl)-1,2-dihydroquinazolin-4-one citrate CAS Name: 6-chloro-3-(2-diethylaminoethyl)-1,2-dihydroquinazolin-4-one; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 6-chloro-3-(2-diethylaminoethyl)-1,2-dihydroquinazolin-4-one; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 6-chloro-3-(2-diethylaminoethyl)-1,2-dihydroquinazolin-4-one citrate Formula: C20H25ClN3O8-3 MolecularWeight: 470.8808

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1CNC2=C(C1=O)C=C(C=C2)Cl.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN(CC)CCN1CNC2=C(C1=O)C=C(C=C2)Cl.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C14H20ClN3O.C6H8O7/c1-3-17(4-2)7-8-18-10-16-13-6-5-11(15)9-12(13)14(18)19;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-6,9,16H,3-4,7-8,10H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3