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

Systemtic Name: 2-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butylamino]-5-(phenylmethyl)-1H-pyrimidin-6-one Openeye Name: 5-benzyl-2-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-1H-pyrimidin-6-one CAS Name: 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-5-(phenylmethyl)-1H-pyrimidin-6-one IUPAC Name: 5-benzyl-2-[4-(5-bromo-3-methylpyridin-2-yl)butylamino]-1H-pyrimidin-6-one Traditional Name: 5-benzyl-2-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-1H-pyrimidin-6-one Formula: C21H23BrN4O MolecularWeight: 427.33752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1CCCCNC2=NC=C(C(=O)N2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=CN=C1CCCCNC2=NC=C(C(=O)N2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C21H23BrN4O/c1-15-11-18(22)14-24-19(15)9-5-6-10-23-21-25-13-17(20(27)26-21)12-16-7-3-2-4-8-16/h2-4,7-8,11,13-14H,5-6,9-10,12H2,1H3,(H2,23,25,26,27)