2-[2-[(4-bromanyl-1,2-thiazol-3-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[(4-bromanyl-1,2-thiazol-3-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Openeye Name: 2-[2-[(4-bromoisothiazol-3-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one CAS Name: 2-[2-[(4-bromo-3-isothiazolyl)methylthio]ethylamino]-5-phenethyl-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(4-bromo-1,2-thiazol-3-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Traditional Name: 2-[2-[(4-bromoisothiazol-3-yl)methylthio]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Formula: C18H19BrN4OS2 MolecularWeight: 451.40366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CN=C(NC2=O)NCCSCC3=NSC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CN=C(NC2=O)NCCSCC3=NSC=C3Br

InChI

InChI=1S/C18H19BrN4OS2/c19-15-11-26-23-16(15)12-25-9-8-20-18-21-10-14(17(24)22-18)7-6-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H2,20,21,22,24)