2-[[4-[1-[(4-tert-butylphenyl)amino]isoquinolin-4-yl]pyrimidin-2-yl]amino]ethanol

Systemtic Name: 2-[[4-[1-[(4-tert-butylphenyl)amino]isoquinolin-4-yl]pyrimidin-2-yl]amino]ethanol Openeye Name: 2-[[4-[1-(4-tert-butylanilino)-4-isoquinolyl]pyrimidin-2-yl]amino]ethanol CAS Name: 2-[[4-[1-(4-tert-butylanilino)-4-isoquinolinyl]-2-pyrimidinyl]amino]ethanol IUPAC Name: 2-[[4-[1-(4-tert-butylanilino)isoquinolin-4-yl]pyrimidin-2-yl]amino]ethanol Traditional Name: 2-[[4-[1-(4-tert-butylanilino)-4-isoquinolyl]pyrimidin-2-yl]amino]ethanol Formula: C25H27N5O MolecularWeight: 413.51478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C4=NC(=NC=C4)NCCO

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C4=NC(=NC=C4)NCCO

InChI

InChI=1S/C25H27N5O/c1-25(2,3)17-8-10-18(11-9-17)29-23-20-7-5-4-6-19(20)21(16-28-23)22-12-13-26-24(30-22)27-14-15-31/h4-13,16,31H,14-15H2,1-3H3,(H,28,29)(H,26,27,30)