2-[4-[[methyl(3-oxidanylpropyl)amino]methyl]phenyl]-6-(phenoxymethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[[methyl(3-oxidanylpropyl)amino]methyl]phenyl]-6-(phenoxymethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]-6-(phenoxymethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]-6-(phenoxymethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]-6-(phenoxymethyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]-6-(phenoxymethyl)-1H-pyrimidin-4-one Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCO)CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)COC3=CC=CC=C3

Isomeric SMILES

CN(CCCO)CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)COC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-25(12-5-13-26)15-17-8-10-18(11-9-17)22-23-19(14-21(27)24-22)16-28-20-6-3-2-4-7-20/h2-4,6-11,14,26H,5,12-13,15-16H2,1H3,(H,23,24,27)