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

Systemtic Name: 6-chloranyl-3-(2-diethylaminoethyl)-1-(phenylmethyl)-2H-quinazolin-4-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 1-benzyl-6-chloro-3-(2-diethylaminoethyl)-2H-quinazolin-4-one; citric acid CAS Name: 6-chloro-3-(2-diethylaminoethyl)-1-(phenylmethyl)-2H-quinazolin-4-one; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 1-benzyl-6-chloro-3-(2-diethylaminoethyl)-2H-quinazolin-4-one; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 1-benzyl-6-chloro-3-(2-diethylaminoethyl)-2H-quinazolin-4-one; citric acid Formula: C27H34ClN3O8 MolecularWeight: 564.02716

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1CN(C2=C(C1=O)C=C(C=C2)Cl)CC3=CC=CC=C3.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)CC3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C21H26ClN3O.C6H8O7/c1-3-23(4-2)12-13-24-16-25(15-17-8-6-5-7-9-17)20-11-10-18(22)14-19(20)21(24)26;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-11,14H,3-4,12-13,15-16H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)