2-(azepan-1-yl)-6-[[2,6-bis(fluoranyl)phenyl]methyl]-5-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-(azepan-1-yl)-6-[[2,6-bis(fluoranyl)phenyl]methyl]-5-methyl-1H-pyrimidin-4-one Openeye Name: 2-(azepan-1-yl)-6-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one CAS Name: 2-(1-azepanyl)-6-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one IUPAC Name: 2-(azepan-1-yl)-6-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one Traditional Name: 2-(azepan-1-yl)-6-(2,6-difluorobenzyl)-5-methyl-1H-pyrimidin-4-one Formula: C18H21F2N3O MolecularWeight: 333.375646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2CCCCCC2)CC3=C(C=CC=C3F)F

Isomeric SMILES

CC1=C(NC(=NC1=O)N2CCCCCC2)CC3=C(C=CC=C3F)F

InChI

InChI=1S/C18H21F2N3O/c1-12-16(11-13-14(19)7-6-8-15(13)20)21-18(22-17(12)24)23-9-4-2-3-5-10-23/h6-8H,2-5,9-11H2,1H3,(H,21,22,24)