N-methyl-6-[6-methyl-1-[(3-propan-2-yloxyphenyl)amino]isoquinolin-5-yl]quinazolin-2-amine

Systemtic Name: N-methyl-6-[6-methyl-1-[(3-propan-2-yloxyphenyl)amino]isoquinolin-5-yl]quinazolin-2-amine Openeye Name: 6-[1-(3-isopropoxyanilino)-6-methyl-5-isoquinolyl]-N-methyl-quinazolin-2-amine CAS Name: N-methyl-6-[6-methyl-1-(3-propan-2-yloxyanilino)-5-isoquinolinyl]-2-quinazolinamine IUPAC Name: N-methyl-6-[6-methyl-1-(3-propan-2-yloxyanilino)isoquinolin-5-yl]quinazolin-2-amine Traditional Name: [6-[1-(3-isopropoxyanilino)-6-methyl-5-isoquinolyl]quinazolin-2-yl]-methyl-amine Formula: C28H27N5O MolecularWeight: 449.54688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N5O/c1-17(2)34-22-7-5-6-21(15-22)32-27-24-10-8-18(3)26(23(24)12-13-30-27)19-9-11-25-20(14-19)16-31-28(29-4)33-25/h5-17H,1-4H3,(H,30,32)(H,29,31,33)