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

Systemtic Name: 2-[3-[(3-methoxypyridin-2-yl)methylsulfanyl]propylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[3-[(3-methoxy-2-pyridyl)methylsulfanyl]propylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[3-[(3-methoxy-2-pyridinyl)methylthio]propylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[3-[(3-methoxypyridin-2-yl)methylsulfanyl]propylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[3-[(3-methoxy-2-pyridyl)methylthio]propylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=CC=C1)CSCCCNC2=NC=C(C(=O)N2)CC3=CN=CC=C3

Isomeric SMILES

COC1=C(N=CC=C1)CSCCCNC2=NC=C(C(=O)N2)CC3=CN=CC=C3

InChI

InChI=1S/C20H23N5O2S/c1-27-18-6-3-8-22-17(18)14-28-10-4-9-23-20-24-13-16(19(26)25-20)11-15-5-2-7-21-12-15/h2-3,5-8,12-13H,4,9-11,14H2,1H3,(H2,23,24,25,26)