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

Systemtic Name: 2-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-5-(4-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[4-(5-bromo-3-methylpyridin-2-yl)butylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-5-(4-pyridylmethyl)-1H-pyrimidin-6-one Formula: C20H22BrN5O MolecularWeight: 428.32558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN5O/c1-14-10-17(21)13-24-18(14)4-2-3-7-23-20-25-12-16(19(27)26-20)11-15-5-8-22-9-6-15/h5-6,8-10,12-13H,2-4,7,11H2,1H3,(H2,23,25,26,27)