2-[3-[(4-bromanyl-1,2-thiazol-3-yl)methylsulfanyl]propylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[3-[(4-bromanyl-1,2-thiazol-3-yl)methylsulfanyl]propylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[3-[(4-bromoisothiazol-3-yl)methylsulfanyl]propylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[3-[(4-bromo-3-isothiazolyl)methylthio]propylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[3-[(4-bromo-1,2-thiazol-3-yl)methylsulfanyl]propylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[3-[(4-bromoisothiazol-3-yl)methylthio]propylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C17H18BrN5OS2 MolecularWeight: 452.39172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCCSCC3=NSC=C3Br

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCCSCC3=NSC=C3Br

InChI

InChI=1S/C17H18BrN5OS2/c18-14-10-26-23-15(14)11-25-6-2-5-20-17-21-9-13(16(24)22-17)7-12-3-1-4-19-8-12/h1,3-4,8-10H,2,5-7,11H2,(H2,20,21,22,24)