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

Systemtic Name: 5-[3-(4-bromophenyl)propyl]-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine Openeye Name: 5-[3-(4-bromophenyl)propyl]-6-[2-(6-morpholino-3-pyridyl)ethynyl]pyrimidin-4-amine CAS Name: 5-[3-(4-bromophenyl)propyl]-6-[2-[6-(4-morpholinyl)-3-pyridinyl]ethynyl]-4-pyrimidinamine IUPAC Name: 5-[3-(4-bromophenyl)propyl]-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine Traditional Name: [5-[3-(4-bromophenyl)propyl]-6-[2-(6-morpholino-3-pyridyl)ethynyl]pyrimidin-4-yl]amine Formula: C24H24BrN5O MolecularWeight: 478.38426

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=C2)C#CC3=C(C(=NC=N3)N)CCCC4=CC=C(C=C4)Br

Isomeric SMILES

C1COCCN1C2=NC=C(C=C2)C#CC3=C(C(=NC=N3)N)CCCC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H24BrN5O/c25-20-8-4-18(5-9-20)2-1-3-21-22(28-17-29-24(21)26)10-6-19-7-11-23(27-16-19)30-12-14-31-15-13-30/h4-5,7-9,11,16-17H,1-3,12-15H2,(H2,26,28,29)