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

Systemtic Name: 2-[2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Openeye Name: 2-[2-[(3-methoxy-2-pyridyl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one CAS Name: 2-[2-[(3-methoxy-2-pyridinyl)methylthio]ethylamino]-5-phenethyl-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Traditional Name: 2-[2-[(3-methoxy-2-pyridyl)methylthio]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=CC=C1)CSCCNC2=NC=C(C(=O)N2)CCC3=CC=CC=C3

Isomeric SMILES

COC1=C(N=CC=C1)CSCCNC2=NC=C(C(=O)N2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-27-19-8-5-11-22-18(19)15-28-13-12-23-21-24-14-17(20(26)25-21)10-9-16-6-3-2-4-7-16/h2-8,11,14H,9-10,12-13,15H2,1H3,(H2,23,24,25,26)