2-[(3-fluoranyl-4-methoxy-phenyl)-phenoxy-methyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)-phenoxy-methyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)-phenoxy-methyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[(3-fluoro-4-methoxyphenyl)-phenoxymethyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)-phenoxymethyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[(3-fluoro-4-methoxy-phenyl)-phenoxy-methyl]-1,4,5,6-tetrahydropyrimidine Formula: C18H19FN2O2 MolecularWeight: 314.354063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=NCCCN2)OC3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=NCCCN2)OC3=CC=CC=C3)F

InChI

InChI=1S/C18H19FN2O2/c1-22-16-9-8-13(12-15(16)19)17(18-20-10-5-11-21-18)23-14-6-3-2-4-7-14/h2-4,6-9,12,17H,5,10-11H2,1H3,(H,20,21)