methyl 6-[(2-pyridin-3-ylquinazolin-4-yl)amino]hexanoate

Systemtic Name: methyl 6-[(2-pyridin-3-ylquinazolin-4-yl)amino]hexanoate Openeye Name: methyl 6-[[2-(3-pyridyl)quinazolin-4-yl]amino]hexanoate CAS Name: 6-[[2-(3-pyridinyl)-4-quinazolinyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-pyridin-3-ylquinazolin-4-yl)amino]hexanoate Traditional Name: 6-[[2-(3-pyridyl)quinazolin-4-yl]amino]hexanoic acid methyl ester Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC1=NC(=NC2=CC=CC=C21)C3=CN=CC=C3

Isomeric SMILES

COC(=O)CCCCCNC1=NC(=NC2=CC=CC=C21)C3=CN=CC=C3

InChI

InChI=1S/C20H22N4O2/c1-26-18(25)11-3-2-6-13-22-20-16-9-4-5-10-17(16)23-19(24-20)15-8-7-12-21-14-15/h4-5,7-10,12,14H,2-3,6,11,13H2,1H3,(H,22,23,24)