4-[[1-(4-azanylquinazolin-2-yl)piperidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[1-(4-azanylquinazolin-2-yl)piperidin-4-yl]amino]benzoic acid Openeye Name: 4-[[1-(4-aminoquinazolin-2-yl)-4-piperidyl]amino]benzoic acid CAS Name: 4-[[1-(4-amino-2-quinazolinyl)-4-piperidinyl]amino]benzoic acid IUPAC Name: 4-[[1-(4-aminoquinazolin-2-yl)piperidin-4-yl]amino]benzoic acid Traditional Name: 4-[[1-(4-aminoquinazolin-2-yl)-4-piperidyl]amino]benzoic acid Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=CC=C(C=C2)C(=O)O)C3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

C1CN(CCC1NC2=CC=C(C=C2)C(=O)O)C3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C20H21N5O2/c21-18-16-3-1-2-4-17(16)23-20(24-18)25-11-9-15(10-12-25)22-14-7-5-13(6-8-14)19(26)27/h1-8,15,22H,9-12H2,(H,26,27)(H2,21,23,24)