2-[2-(furan-2-ylmethylsulfanyl)ethylamino]-5-(pyridazin-4-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(furan-2-ylmethylsulfanyl)ethylamino]-5-(pyridazin-4-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-(2-furylmethylsulfanyl)ethylamino]-5-(pyridazin-4-ylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-(2-furanylmethylthio)ethylamino]-5-(4-pyridazinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-(furan-2-ylmethylsulfanyl)ethylamino]-5-(pyridazin-4-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-(2-furfurylthio)ethylamino]-5-(pyridazin-4-ylmethyl)-1H-pyrimidin-6-one Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2S/c22-15-13(8-12-3-4-19-20-9-12)10-18-16(21-15)17-5-7-24-11-14-2-1-6-23-14/h1-4,6,9-10H,5,7-8,11H2,(H2,17,18,21,22)