6-(furan-3-yl)-2-[3-(1,4-oxazepan-4-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(furan-3-yl)-2-[3-(1,4-oxazepan-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(3-furyl)-2-[3-(1,4-oxazepan-4-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-(3-furanyl)-2-[3-(1,4-oxazepan-4-ylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(furan-3-yl)-2-[3-(1,4-oxazepan-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(3-furyl)-2-[3-(1,4-oxazepan-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCOC1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=COC=C4

Isomeric SMILES

C1CN(CCOC1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=COC=C4

InChI

InChI=1S/C20H21N3O3/c24-19-12-18(17-5-9-26-14-17)21-20(22-19)16-4-1-3-15(11-16)13-23-6-2-8-25-10-7-23/h1,3-5,9,11-12,14H,2,6-8,10,13H2,(H,21,22,24)