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

Systemtic Name: 5-[3-(4-methoxyphenyl)propyl]-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine Openeye Name: 5-[3-(4-methoxyphenyl)propyl]-6-[2-(6-morpholino-3-pyridyl)ethynyl]pyrimidin-4-amine CAS Name: 5-[3-(4-methoxyphenyl)propyl]-6-[2-[6-(4-morpholinyl)-3-pyridinyl]ethynyl]-4-pyrimidinamine IUPAC Name: 5-[3-(4-methoxyphenyl)propyl]-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine Traditional Name: [5-[3-(4-methoxyphenyl)propyl]-6-[2-(6-morpholino-3-pyridyl)ethynyl]pyrimidin-4-yl]amine Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCC2=C(N=CN=C2N)C#CC3=CN=C(C=C3)N4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)CCCC2=C(N=CN=C2N)C#CC3=CN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C25H27N5O2/c1-31-21-9-5-19(6-10-21)3-2-4-22-23(28-18-29-25(22)26)11-7-20-8-12-24(27-17-20)30-13-15-32-16-14-30/h5-6,8-10,12,17-18H,2-4,13-16H2,1H3,(H2,26,28,29)