5-butyl-6-methyl-2-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 5-butyl-6-methyl-2-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 5-butyl-6-methyl-2-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 5-butyl-6-methyl-2-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 5-butyl-6-methyl-2-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 5-butyl-6-methyl-2-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1H-pyrimidin-4-one Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=NC1=O)C2=CC=C(C=C2)CN(C)C3CCOCC3)C

Isomeric SMILES

CCCCC1=C(NC(=NC1=O)C2=CC=C(C=C2)CN(C)C3CCOCC3)C

InChI

InChI=1S/C22H31N3O2/c1-4-5-6-20-16(2)23-21(24-22(20)26)18-9-7-17(8-10-18)15-25(3)19-11-13-27-14-12-19/h7-10,19H,4-6,11-15H2,1-3H3,(H,23,24,26)