6-[1-[(4-fluoranyl-3-propan-2-yloxy-phenyl)amino]-6-methyl-isoquinolin-5-yl]-N-methyl-quinazolin-2-amine

Systemtic Name: 6-[1-[(4-fluoranyl-3-propan-2-yloxy-phenyl)amino]-6-methyl-isoquinolin-5-yl]-N-methyl-quinazolin-2-amine Openeye Name: 6-[1-(4-fluoro-3-isopropoxy-anilino)-6-methyl-5-isoquinolyl]-N-methyl-quinazolin-2-amine CAS Name: 6-[1-(4-fluoro-3-propan-2-yloxyanilino)-6-methyl-5-isoquinolinyl]-N-methyl-2-quinazolinamine IUPAC Name: 6-[1-(4-fluoro-3-propan-2-yloxyanilino)-6-methylisoquinolin-5-yl]-N-methylquinazolin-2-amine Traditional Name: [6-[1-(4-fluoro-3-isopropoxy-anilino)-6-methyl-5-isoquinolyl]quinazolin-2-yl]-methyl-amine Formula: C28H26FN5O MolecularWeight: 467.537343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC(=C(C=C3)F)OC(C)C)C4=CC5=CN=C(N=C5C=C4)NC

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC(=C(C=C3)F)OC(C)C)C4=CC5=CN=C(N=C5C=C4)NC

InChI

InChI=1S/C28H26FN5O/c1-16(2)35-25-14-20(7-9-23(25)29)33-27-22-8-5-17(3)26(21(22)11-12-31-27)18-6-10-24-19(13-18)15-32-28(30-4)34-24/h5-16H,1-4H3,(H,31,33)(H,30,32,34)