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

Systemtic Name: 5-[(3-bromophenyl)methyl]-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine Openeye Name: 5-[(3-bromophenyl)methyl]-6-[2-(6-morpholino-3-pyridyl)ethynyl]pyrimidin-4-amine CAS Name: 5-[(3-bromophenyl)methyl]-6-[2-[6-(4-morpholinyl)-3-pyridinyl]ethynyl]-4-pyrimidinamine IUPAC Name: 5-[(3-bromophenyl)methyl]-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine Traditional Name: [5-(3-bromobenzyl)-6-[2-(6-morpholino-3-pyridyl)ethynyl]pyrimidin-4-yl]amine Formula: C22H20BrN5O MolecularWeight: 450.3311

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrN5O/c23-18-3-1-2-17(12-18)13-19-20(26-15-27-22(19)24)6-4-16-5-7-21(25-14-16)28-8-10-29-11-9-28/h1-3,5,7,12,14-15H,8-11,13H2,(H2,24,26,27)