5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-[2-(6-morpholino-3-pyridyl)ethynyl]pyrimidin-4-amine CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-[2-[6-(4-morpholinyl)-3-pyridinyl]ethynyl]-4-pyrimidinamine IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine Traditional Name: [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-[2-(6-morpholino-3-pyridyl)ethynyl]pyrimidin-4-yl]amine Formula: C25H26N6O MolecularWeight: 426.51354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=C(N=CN=C3N)C#CC4=CN=C(C=C4)N5CCOCC5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=C(N=CN=C3N)C#CC4=CN=C(C=C4)N5CCOCC5

InChI

InChI=1S/C25H26N6O/c26-25-22(17-30-10-9-20-3-1-2-4-21(20)16-30)23(28-18-29-25)7-5-19-6-8-24(27-15-19)31-11-13-32-14-12-31/h1-4,6,8,15,18H,9-14,16-17H2,(H2,26,28,29)