3-[[6-chloranyl-4-(pyridin-3-ylmethylamino)quinazolin-2-yl]amino]propanoic acid

Systemtic Name: 3-[[6-chloranyl-4-(pyridin-3-ylmethylamino)quinazolin-2-yl]amino]propanoic acid Openeye Name: 3-[[6-chloro-4-(3-pyridylmethylamino)quinazolin-2-yl]amino]propanoic acid CAS Name: 3-[[6-chloro-4-(3-pyridinylmethylamino)-2-quinazolinyl]amino]propanoic acid IUPAC Name: 3-[[6-chloro-4-(pyridin-3-ylmethylamino)quinazolin-2-yl]amino]propanoic acid Traditional Name: 3-[[6-chloro-4-(3-pyridylmethylamino)quinazolin-2-yl]amino]propionic acid Formula: C17H16ClN5O2 MolecularWeight: 357.79424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=NC(=NC3=C2C=C(C=C3)Cl)NCCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CNC2=NC(=NC3=C2C=C(C=C3)Cl)NCCC(=O)O

InChI

InChI=1S/C17H16ClN5O2/c18-12-3-4-14-13(8-12)16(21-10-11-2-1-6-19-9-11)23-17(22-14)20-7-5-15(24)25/h1-4,6,8-9H,5,7,10H2,(H,24,25)(H2,20,21,22,23)