2-[(1R,3S)-3-azanylcyclohexyl]-N-[3-[4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]ethanamide

Systemtic Name: 2-[(1R,3S)-3-azanylcyclohexyl]-N-[3-[4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]ethanamide Openeye Name: 2-[(1R,3S)-3-aminocyclohexyl]-N-[3-[4-[3-(hydroxymethyl)phenyl]-6-morpholino-pyrimidin-2-yl]phenyl]acetamide CAS Name: 2-[(1R,3S)-3-aminocyclohexyl]-N-[3-[4-[3-(hydroxymethyl)phenyl]-6-(4-morpholinyl)-2-pyrimidinyl]phenyl]acetamide IUPAC Name: 2-[(1R,3S)-3-aminocyclohexyl]-N-[3-[4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide Traditional Name: 2-[(1R,3S)-3-aminocyclohexyl]-N-[3-[4-(3-methylolphenyl)-6-morpholino-pyrimidin-2-yl]phenyl]acetamide Formula: C29H35N5O3 MolecularWeight: 501.6199

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)N)CC(=O)NC2=CC=CC(=C2)C3=NC(=CC(=N3)N4CCOCC4)C5=CC(=CC=C5)CO

Isomeric SMILES

C1C[C@H](C[C@H](C1)N)CC(=O)NC2=CC=CC(=C2)C3=NC(=CC(=N3)N4CCOCC4)C5=CC(=CC=C5)CO

InChI

InChI=1S/C29H35N5O3/c30-24-8-2-4-20(15-24)16-28(36)31-25-9-3-7-23(17-25)29-32-26(22-6-1-5-21(14-22)19-35)18-27(33-29)34-10-12-37-13-11-34/h1,3,5-7,9,14,17-18,20,24,35H,2,4,8,10-13,15-16,19,30H2,(H,31,36)/t20-,24+/m1/s1