5-tert-butyl-N-[6-methyl-5-[2-(methylamino)quinazolin-6-yl]isoquinolin-1-yl]-1,2-oxazol-3-amine

Systemtic Name: 5-tert-butyl-N-[6-methyl-5-[2-(methylamino)quinazolin-6-yl]isoquinolin-1-yl]-1,2-oxazol-3-amine Openeye Name: 5-tert-butyl-N-[6-methyl-5-[2-(methylamino)quinazolin-6-yl]-1-isoquinolyl]isoxazol-3-amine CAS Name: 5-tert-butyl-N-[6-methyl-5-[2-(methylamino)-6-quinazolinyl]-1-isoquinolinyl]-3-isoxazolamine IUPAC Name: 5-tert-butyl-N-[6-methyl-5-[2-(methylamino)quinazolin-6-yl]isoquinolin-1-yl]-1,2-oxazol-3-amine Traditional Name: (5-tert-butylisoxazol-3-yl)-[6-methyl-5-[2-(methylamino)quinazolin-6-yl]-1-isoquinolyl]amine Formula: C26H26N6O MolecularWeight: 438.52424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N6O/c1-15-6-8-19-18(10-11-28-24(19)31-22-13-21(33-32-22)26(2,3)4)23(15)16-7-9-20-17(12-16)14-29-25(27-5)30-20/h6-14H,1-5H3,(H,27,29,30)(H,28,31,32)