6,7-diethoxy-N-[4-fluoranyl-3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine

Systemtic Name: 6,7-diethoxy-N-[4-fluoranyl-3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine Openeye Name: 6,7-diethoxy-N-[4-fluoro-3-(2-methylthiazol-4-yl)phenyl]-2-(1-piperidylmethyl)quinazolin-4-amine CAS Name: 6,7-diethoxy-N-[4-fluoro-3-(2-methyl-4-thiazolyl)phenyl]-2-(1-piperidinylmethyl)-4-quinazolinamine IUPAC Name: 6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine Traditional Name: [6,7-diethoxy-2-(piperidinomethyl)quinazolin-4-yl]-[4-fluoro-3-(2-methylthiazol-4-yl)phenyl]amine Formula: C28H32FN5O2S MolecularWeight: 521.649383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=N2)CN3CCCCC3)NC4=CC(=C(C=C4)F)C5=CSC(=N5)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=N2)CN3CCCCC3)NC4=CC(=C(C=C4)F)C5=CSC(=N5)C)OCC

InChI

InChI=1S/C28H32FN5O2S/c1-4-35-25-14-21-23(15-26(25)36-5-2)32-27(16-34-11-7-6-8-12-34)33-28(21)31-19-9-10-22(29)20(13-19)24-17-37-18(3)30-24/h9-10,13-15,17H,4-8,11-12,16H2,1-3H3,(H,31,32,33)