2-[4-[[2,3-bis(oxidanyl)propyl-methyl-amino]methyl]phenyl]-6-butyl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[[2,3-bis(oxidanyl)propyl-methyl-amino]methyl]phenyl]-6-butyl-1H-pyrimidin-4-one Openeye Name: 6-butyl-2-[4-[[2,3-dihydroxypropyl(methyl)amino]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-butyl-2-[4-[[2,3-dihydroxypropyl(methyl)amino]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-butyl-2-[4-[[2,3-dihydroxypropyl(methyl)amino]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-butyl-2-[4-[[glyceryl(methyl)amino]methyl]phenyl]-1H-pyrimidin-4-one Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)CN(C)CC(CO)O

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)CN(C)CC(CO)O

InChI

InChI=1S/C19H27N3O3/c1-3-4-5-16-10-18(25)21-19(20-16)15-8-6-14(7-9-15)11-22(2)12-17(24)13-23/h6-10,17,23-24H,3-5,11-13H2,1-2H3,(H,20,21,25)