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

Systemtic Name: 6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]-5-(phenylmethyl)pyrimidin-4-amine Openeye Name: 5-benzyl-6-[2-(6-morpholino-3-pyridyl)ethynyl]pyrimidin-4-amine CAS Name: 6-[2-[6-(4-morpholinyl)-3-pyridinyl]ethynyl]-5-(phenylmethyl)-4-pyrimidinamine IUPAC Name: 5-benzyl-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine Traditional Name: [5-benzyl-6-[2-(6-morpholino-3-pyridyl)ethynyl]pyrimidin-4-yl]amine Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=C2)C#CC3=C(C(=NC=N3)N)CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NC=C(C=C2)C#CC3=C(C(=NC=N3)N)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O/c23-22-19(14-17-4-2-1-3-5-17)20(25-16-26-22)8-6-18-7-9-21(24-15-18)27-10-12-28-13-11-27/h1-5,7,9,15-16H,10-14H2,(H2,23,25,26)