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

Systemtic Name: 2-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-[(3-chloro-2-pyridyl)methylsulfanyl]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-[(3-chloro-2-pyridinyl)methylthio]ethylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(3-chloropyridin-2-yl)methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-[(3-chloro-2-pyridyl)methylthio]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSCC3=C(C=CC=N3)Cl

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSCC3=C(C=CC=N3)Cl

InChI

InChI=1S/C18H18ClN5OS/c19-15-4-2-6-21-16(15)12-26-8-7-22-18-23-11-14(17(25)24-18)9-13-3-1-5-20-10-13/h1-6,10-11H,7-9,12H2,(H2,22,23,24,25)