5-(pyridin-3-ylmethyl)-2-(3-pyridin-2-ylsulfanylpropylamino)-1H-pyrimidin-6-one

Systemtic Name: 5-(pyridin-3-ylmethyl)-2-(3-pyridin-2-ylsulfanylpropylamino)-1H-pyrimidin-6-one Openeye Name: 5-(3-pyridylmethyl)-2-[3-(2-pyridylsulfanyl)propylamino]-1H-pyrimidin-6-one CAS Name: 5-(3-pyridinylmethyl)-2-[3-(2-pyridinylthio)propylamino]-1H-pyrimidin-6-one IUPAC Name: 5-(pyridin-3-ylmethyl)-2-(3-pyridin-2-ylsulfanylpropylamino)-1H-pyrimidin-6-one Traditional Name: 5-(3-pyridylmethyl)-2-[3-(2-pyridylthio)propylamino]-1H-pyrimidin-6-one Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCCCNC2=NC=C(C(=O)N2)CC3=CN=CC=C3

Isomeric SMILES

C1=CC=NC(=C1)SCCCNC2=NC=C(C(=O)N2)CC3=CN=CC=C3

InChI

InChI=1S/C18H19N5OS/c24-17-15(11-14-5-3-7-19-12-14)13-22-18(23-17)21-9-4-10-25-16-6-1-2-8-20-16/h1-3,5-8,12-13H,4,9-11H2,(H2,21,22,23,24)