6-chloranyl-1-(cyclohexylmethyl)-3-(2-diethylaminoethyl)-2H-quinazolin-4-one; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 6-chloranyl-1-(cyclohexylmethyl)-3-(2-diethylaminoethyl)-2H-quinazolin-4-one; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 6-chloro-1-(cyclohexylmethyl)-3-(2-diethylaminoethyl)-2H-quinazolin-4-one citrate CAS Name: 6-chloro-1-(cyclohexylmethyl)-3-(2-diethylaminoethyl)-2H-quinazolin-4-one; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 6-chloro-1-(cyclohexylmethyl)-3-(2-diethylaminoethyl)-2H-quinazolin-4-one; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 6-chloro-1-(cyclohexylmethyl)-3-(2-diethylaminoethyl)-2H-quinazolin-4-one citrate Formula: C27H37ClN3O8-3 MolecularWeight: 567.05098

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1CN(C2=C(C1=O)C=C(C=C2)Cl)CC3CCCCC3.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)CC3CCCCC3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C21H32ClN3O.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/h10-11,14,17H,3-9,12-13,15-16H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3