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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)CSCCNC2=NC=C(C(=O)N2)CC3=CN=CC=C3)Br

Isomeric SMILES

CC1=C(C(=NC=C1)CSCCNC2=NC=C(C(=O)N2)CC3=CN=CC=C3)Br

InChI

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