6-chloranyl-3-(2-diethylaminoethyl)-1-methyl-2H-quinazolin-4-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 6-chloranyl-3-(2-diethylaminoethyl)-1-methyl-2H-quinazolin-4-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 6-chloro-3-(2-diethylaminoethyl)-1-methyl-2H-quinazolin-4-one; citric acid CAS Name: 6-chloro-3-(2-diethylaminoethyl)-1-methyl-2H-quinazolin-4-one; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 6-chloro-3-(2-diethylaminoethyl)-1-methyl-2H-quinazolin-4-one; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 6-chloro-3-(2-diethylaminoethyl)-1-methyl-2H-quinazolin-4-one; citric acid Formula: C21H30ClN3O8 MolecularWeight: 487.9312

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1CN(C2=C(C1=O)C=C(C=C2)Cl)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCN1CN(C2=C(C1=O)C=C(C=C2)Cl)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C15H22ClN3O.C6H8O7/c1-4-18(5-2)8-9-19-11-17(3)14-7-6-12(16)10-13(14)15(19)20;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-7,10H,4-5,8-9,11H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)