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

Systemtic Name: 2-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Openeye Name: 2-[2-[(3-chloro-2-pyridyl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one CAS Name: 2-[2-[(3-chloro-2-pyridinyl)methylthio]ethylamino]-5-phenethyl-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(3-chloropyridin-2-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Traditional Name: 2-[2-[(3-chloro-2-pyridyl)methylthio]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CN=C(NC2=O)NCCSCC3=C(C=CC=N3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CN=C(NC2=O)NCCSCC3=C(C=CC=N3)Cl

InChI

InChI=1S/C20H21ClN4OS/c21-17-7-4-10-22-18(17)14-27-12-11-23-20-24-13-16(19(26)25-20)9-8-15-5-2-1-3-6-15/h1-7,10,13H,8-9,11-12,14H2,(H2,23,24,25,26)