3-methyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]butanoic acid

Systemtic Name: 3-methyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]butanoic acid Openeye Name: 3-methyl-2-[[2-(3-pyridyl)quinazolin-4-yl]amino]butanoic acid CAS Name: 3-methyl-2-[[2-(3-pyridinyl)-4-quinazolinyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]butanoic acid Traditional Name: 3-methyl-2-[[2-(3-pyridyl)quinazolin-4-yl]amino]butyric acid Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1=NC(=NC2=CC=CC=C21)C3=CN=CC=C3

Isomeric SMILES

CC(C)C(C(=O)O)NC1=NC(=NC2=CC=CC=C21)C3=CN=CC=C3

InChI

InChI=1S/C18H18N4O2/c1-11(2)15(18(23)24)21-17-13-7-3-4-8-14(13)20-16(22-17)12-6-5-9-19-10-12/h3-11,15H,1-2H3,(H,23,24)(H,20,21,22)