3-(6-methyl-2-morpholin-4-yl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-[3-(2-phenylethynyl)phenyl]propanamide

Systemtic Name: 3-(6-methyl-2-morpholin-4-yl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-[3-(2-phenylethynyl)phenyl]propanamide Openeye Name: 3-(6-methyl-2-morpholino-4-oxo-1H-pyrimidin-5-yl)-N-[3-(2-phenylethynyl)phenyl]propanamide CAS Name: 3-[6-methyl-2-(4-morpholinyl)-4-oxo-1H-pyrimidin-5-yl]-N-[3-(2-phenylethynyl)phenyl]propanamide IUPAC Name: 3-(6-methyl-2-morpholin-4-yl-4-oxo-1H-pyrimidin-5-yl)-N-[3-(2-phenylethynyl)phenyl]propanamide Traditional Name: 3-(4-keto-6-methyl-2-morpholino-1H-pyrimidin-5-yl)-N-[3-(2-phenylethynyl)phenyl]propionamide Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCOCC2)CCC(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCOCC2)CCC(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O3/c1-19-23(25(32)29-26(27-19)30-14-16-33-17-15-30)12-13-24(31)28-22-9-5-8-21(18-22)11-10-20-6-3-2-4-7-20/h2-9,18H,12-17H2,1H3,(H,28,31)(H,27,29,32)