5-(pyridin-3-ylmethyl)-2-[2-(pyridin-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one

Systemtic Name: 5-(pyridin-3-ylmethyl)-2-[2-(pyridin-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-(3-pyridylmethyl)-2-[2-(2-pyridylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one CAS Name: 5-(3-pyridinylmethyl)-2-[2-(2-pyridinylmethylthio)ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-(pyridin-3-ylmethyl)-2-[2-(pyridin-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-(3-pyridylmethyl)-2-[2-(2-pyridylmethylthio)ethylamino]-1H-pyrimidin-6-one Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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