2-azanyl-1-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-pyrimidin-4-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-azanyl-1-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 2-amino-1-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholino-pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 2-amino-1-[4-[2-[3-(hydroxymethyl)phenyl]-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-amino-1-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 2-amino-1-[4-[2-(3-methylolphenyl)-6-morpholino-pyrimidin-4-yl]piperazino]ethanone Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=NC(=N2)C3=CC(=CC=C3)CO)N4CCOCC4)C(=O)CN

Isomeric SMILES

C1CN(CCN1C2=CC(=NC(=N2)C3=CC(=CC=C3)CO)N4CCOCC4)C(=O)CN

InChI

InChI=1S/C21H28N6O3/c22-14-20(29)27-6-4-25(5-7-27)18-13-19(26-8-10-30-11-9-26)24-21(23-18)17-3-1-2-16(12-17)15-28/h1-3,12-13,28H,4-11,14-15,22H2