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

Systemtic Name: 5-[3-(3-bromophenyl)propyl]-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine Openeye Name: 5-[3-(3-bromophenyl)propyl]-6-[2-(6-morpholino-3-pyridyl)ethynyl]pyrimidin-4-amine CAS Name: 5-[3-(3-bromophenyl)propyl]-6-[2-[6-(4-morpholinyl)-3-pyridinyl]ethynyl]-4-pyrimidinamine IUPAC Name: 5-[3-(3-bromophenyl)propyl]-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine Traditional Name: [5-[3-(3-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(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C24H24BrN5O/c25-20-5-1-3-18(15-20)4-2-6-21-22(28-17-29-24(21)26)9-7-19-8-10-23(27-16-19)30-11-13-31-14-12-30/h1,3,5,8,10,15-17H,2,4,6,11-14H2,(H2,26,28,29)