2-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethylamino]-6-methyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethylamino]-6-methyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[2-[(3-bromo-2-pyridyl)methylsulfanyl]ethylamino]-6-methyl-5-(3-pyridylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[2-[(3-bromo-2-pyridinyl)methylthio]ethylamino]-6-methyl-5-(3-pyridinylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethylamino]-6-methyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-[2-[(3-bromo-2-pyridyl)methylthio]ethylamino]-6-methyl-5-(3-pyridylmethyl)-1H-pyrimidin-4-one Formula: C19H20BrN5OS MolecularWeight: 446.364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NCCSCC2=C(C=CC=N2)Br)CC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NCCSCC2=C(C=CC=N2)Br)CC3=CN=CC=C3

InChI

InChI=1S/C19H20BrN5OS/c1-13-15(10-14-4-2-6-21-11-14)18(26)25-19(24-13)23-8-9-27-12-17-16(20)5-3-7-22-17/h2-7,11H,8-10,12H2,1H3,(H2,23,24,25,26)