2-[4-(3-azanyl-5-bromanyl-pyridin-2-yl)butylamino]-5-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[4-(3-azanyl-5-bromanyl-pyridin-2-yl)butylamino]-5-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[4-(3-amino-5-bromo-2-pyridyl)butylamino]-5-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[4-(3-amino-5-bromo-2-pyridinyl)butylamino]-5-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[4-(3-amino-5-bromopyridin-2-yl)butylamino]-5-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[4-(3-amino-5-bromo-2-pyridyl)butylamino]-5-(4-fluorobenzyl)-1H-pyrimidin-6-one Formula: C20H21BrFN5O MolecularWeight: 446.316043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CN=C(NC2=O)NCCCCC3=NC=C(C=C3N)Br)F

Isomeric SMILES

C1=CC(=CC=C1CC2=CN=C(NC2=O)NCCCCC3=NC=C(C=C3N)Br)F

InChI

InChI=1S/C20H21BrFN5O/c21-15-10-17(23)18(25-12-15)3-1-2-8-24-20-26-11-14(19(28)27-20)9-13-4-6-16(22)7-5-13/h4-7,10-12H,1-3,8-9,23H2,(H2,24,26,27,28)