4-chloranyl-3-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]benzoic acid

Systemtic Name: 4-chloranyl-3-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 4-chloro-3-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-(dimethylaminomethyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]benzoic acid Formula: C18H17ClN4O2 MolecularWeight: 356.80618

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NC2=CC=CC=C2C(=N1)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CN(C)CC1=NC2=CC=CC=C2C(=N1)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C18H17ClN4O2/c1-23(2)10-16-20-14-6-4-3-5-12(14)17(22-16)21-15-9-11(18(24)25)7-8-13(15)19/h3-9H,10H2,1-2H3,(H,24,25)(H,20,21,22)