2-[4-(furan-2-ylmethoxy)phenyl]-5-(3-methylbutyl)-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[4-(furan-2-ylmethoxy)phenyl]-5-(3-methylbutyl)-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[4-(2-furylmethoxy)phenyl]-4-hydroxy-5-isopentyl-1H-pyrimidin-6-one CAS Name: 2-[4-(2-furanylmethoxy)phenyl]-4-hydroxy-5-(3-methylbutyl)-1H-pyrimidin-6-one IUPAC Name: 2-[4-(furan-2-ylmethoxy)phenyl]-4-hydroxy-5-(3-methylbutyl)-1H-pyrimidin-6-one Traditional Name: 2-[4-(2-furfuryloxy)phenyl]-4-hydroxy-5-isoamyl-1H-pyrimidin-6-one Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(N=C(NC1=O)C2=CC=C(C=C2)OCC3=CC=CO3)O

Isomeric SMILES

CC(C)CCC1=C(N=C(NC1=O)C2=CC=C(C=C2)OCC3=CC=CO3)O

InChI

InChI=1S/C20H22N2O4/c1-13(2)5-10-17-19(23)21-18(22-20(17)24)14-6-8-15(9-7-14)26-12-16-4-3-11-25-16/h3-4,6-9,11,13H,5,10,12H2,1-2H3,(H2,21,22,23,24)