6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]-5-(4-phenylbutyl)pyrimidin-4-amine

Systemtic Name: 6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]-5-(4-phenylbutyl)pyrimidin-4-amine Openeye Name: 6-[2-(6-morpholino-3-pyridyl)ethynyl]-5-(4-phenylbutyl)pyrimidin-4-amine CAS Name: 6-[2-[6-(4-morpholinyl)-3-pyridinyl]ethynyl]-5-(4-phenylbutyl)-4-pyrimidinamine IUPAC Name: 6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]-5-(4-phenylbutyl)pyrimidin-4-amine Traditional Name: [6-[2-(6-morpholino-3-pyridyl)ethynyl]-5-(4-phenylbutyl)pyrimidin-4-yl]amine Formula: C25H27N5O MolecularWeight: 413.51478

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=C2)C#CC3=C(C(=NC=N3)N)CCCCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NC=C(C=C2)C#CC3=C(C(=NC=N3)N)CCCCC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O/c26-25-22(9-5-4-8-20-6-2-1-3-7-20)23(28-19-29-25)12-10-21-11-13-24(27-18-21)30-14-16-31-17-15-30/h1-3,6-7,11,13,18-19H,4-5,8-9,14-17H2,(H2,26,28,29)