2-[3-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenyl]-6-(oxan-4-yl)-1H-pyrimidin-4-one

Systemtic Name: 2-[3-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenyl]-6-(oxan-4-yl)-1H-pyrimidin-4-one Openeye Name: 2-[3-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenyl]-6-tetrahydropyran-4-yl-1H-pyrimidin-4-one CAS Name: 2-[3-[[2-(1-imidazolyl)ethyl-methylamino]methyl]phenyl]-6-(4-oxanyl)-1H-pyrimidin-4-one IUPAC Name: 2-[3-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenyl]-6-(oxan-4-yl)-1H-pyrimidin-4-one Traditional Name: 2-[3-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenyl]-6-tetrahydropyran-4-yl-1H-pyrimidin-4-one Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1C=CN=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CCOCC4

Isomeric SMILES

CN(CCN1C=CN=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CCOCC4

InChI

InChI=1S/C22H27N5O2/c1-26(9-10-27-8-7-23-16-27)15-17-3-2-4-19(13-17)22-24-20(14-21(28)25-22)18-5-11-29-12-6-18/h2-4,7-8,13-14,16,18H,5-6,9-12,15H2,1H3,(H,24,25,28)