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

Systemtic Name: 2-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethylamino]-5-[(2-oxidanylidene-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[2-[(3-bromo-2-pyridyl)methylsulfanyl]ethylamino]-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[2-[(3-bromo-2-pyridinyl)methylthio]ethylamino]-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethylamino]-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[2-[(3-bromo-2-pyridyl)methylthio]ethylamino]-5-[(2-keto-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one Formula: C18H18BrN5O2S MolecularWeight: 448.33682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN5O2S/c19-14-2-1-4-20-15(14)11-27-7-6-22-18-23-10-13(17(26)24-18)8-12-3-5-21-16(25)9-12/h1-5,9-10H,6-8,11H2,(H,21,25)(H2,22,23,24,26)