2-[2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-[(3,4-dimethoxy-2-pyridyl)methylsulfanyl]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-[(3,4-dimethoxy-2-pyridinyl)methylthio]ethylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-[(3,4-dimethoxy-2-pyridyl)methylthio]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=C1)CSCCNC2=NC=C(C(=O)N2)CC3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C(=NC=C1)CSCCNC2=NC=C(C(=O)N2)CC3=CN=CC=C3)OC

InChI

InChI=1S/C20H23N5O3S/c1-27-17-5-7-22-16(18(17)28-2)13-29-9-8-23-20-24-12-15(19(26)25-20)10-14-4-3-6-21-11-14/h3-7,11-12H,8-10,13H2,1-2H3,(H2,23,24,25,26)