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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butylamino]-1H-pyrimidin-6-one Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-1H-pyrimidin-6-one CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-1H-pyrimidin-6-one IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[4-(5-bromo-3-methylpyridin-2-yl)butylamino]-1H-pyrimidin-6-one Traditional Name: 2-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-5-piperonyl-1H-pyrimidin-6-one Formula: C22H23BrN4O3 MolecularWeight: 471.34702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1CCCCNC2=NC=C(C(=O)N2)CC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

CC1=CC(=CN=C1CCCCNC2=NC=C(C(=O)N2)CC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C22H23BrN4O3/c1-14-8-17(23)12-25-18(14)4-2-3-7-24-22-26-11-16(21(28)27-22)9-15-5-6-19-20(10-15)30-13-29-19/h5-6,8,10-12H,2-4,7,9,13H2,1H3,(H2,24,26,27,28)