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

Systemtic Name: 4-[[6-chloranyl-4-(pyridin-3-ylmethylamino)quinazolin-2-yl]-methyl-amino]butanoic acid Openeye Name: 4-[[6-chloro-4-(3-pyridylmethylamino)quinazolin-2-yl]-methyl-amino]butanoic acid CAS Name: 4-[[6-chloro-4-(3-pyridinylmethylamino)-2-quinazolinyl]-methylamino]butanoic acid IUPAC Name: 4-[[6-chloro-4-(pyridin-3-ylmethylamino)quinazolin-2-yl]-methylamino]butanoic acid Traditional Name: 4-[[6-chloro-4-(3-pyridylmethylamino)quinazolin-2-yl]-methyl-amino]butyric acid Formula: C19H20ClN5O2 MolecularWeight: 385.8474

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CN=CC=C3

Isomeric SMILES

CN(CCCC(=O)O)C1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CN=CC=C3

InChI

InChI=1S/C19H20ClN5O2/c1-25(9-3-5-17(26)27)19-23-16-7-6-14(20)10-15(16)18(24-19)22-12-13-4-2-8-21-11-13/h2,4,6-8,10-11H,3,5,9,12H2,1H3,(H,26,27)(H,22,23,24)