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

Systemtic Name: 2-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one Openeye Name: 5-benzyloxy-2-[2-[(3-chloro-2-pyridyl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 2-[2-[(3-chloro-2-pyridinyl)methylthio]ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(3-chloropyridin-2-yl)methylsulfanyl]ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one Traditional Name: 5-benzoxy-2-[2-[(3-chloro-2-pyridyl)methylthio]ethylamino]-1H-pyrimidin-6-one Formula: C19H19ClN4O2S MolecularWeight: 402.89776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CN=C(NC2=O)NCCSCC3=C(C=CC=N3)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CN=C(NC2=O)NCCSCC3=C(C=CC=N3)Cl

InChI

InChI=1S/C19H19ClN4O2S/c20-15-7-4-8-21-16(15)13-27-10-9-22-19-23-11-17(18(25)24-19)26-12-14-5-2-1-3-6-14/h1-8,11H,9-10,12-13H2,(H2,22,23,24,25)