N-(4-fluoranyl-2-methyl-phenyl)-8-methoxy-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine; 2-oxidanylbutanedioic acid

Systemtic Name: N-(4-fluoranyl-2-methyl-phenyl)-8-methoxy-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine; 2-oxidanylbutanedioic acid Openeye Name: N-(4-fluoro-2-methyl-phenyl)-8-methoxy-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine; 2-hydroxybutanedioic acid CAS Name: N-(4-fluoro-2-methylphenyl)-8-methoxy-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-quinazolinamine; 2-hydroxybutanedioic acid IUPAC Name: N-(4-fluoro-2-methylphenyl)-8-methoxy-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine; 2-hydroxybutanedioic acid Traditional Name: (4-fluoro-2-methyl-phenyl)-[8-methoxy-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-yl]amine; malic acid Formula: C30H31FN4O6 MolecularWeight: 562.588743

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2CCN1C3=NC(=NC4=C3C=CC=C4OC)NC5=C(C=C(C=C5)F)C.C(C(C(=O)O)O)C(=O)O

Isomeric SMILES

CC1C2=CC=CC=C2CCN1C3=NC(=NC4=C3C=CC=C4OC)NC5=C(C=C(C=C5)F)C.C(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C26H25FN4O.C4H6O5/c1-16-15-19(27)11-12-22(16)28-26-29-24-21(9-6-10-23(24)32-3)25(30-26)31-14-13-18-7-4-5-8-20(18)17(31)2;5-2(4(8)9)1-3(6)7/h4-12,15,17H,13-14H2,1-3H3,(H,28,29,30);2,5H,1H2,(H,6,7)(H,8,9)