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

Systemtic Name: 5-(furan-2-ylmethyl)-2-[2-(furan-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-(2-furylmethyl)-2-[2-(2-furylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one CAS Name: 5-(2-furanylmethyl)-2-[2-(2-furanylmethylthio)ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-(furan-2-ylmethyl)-2-[2-(furan-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-(2-furfuryl)-2-[2-(2-furfurylthio)ethylamino]-1H-pyrimidin-6-one Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=CO3

Isomeric SMILES

C1=COC(=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C16H17N3O3S/c20-15-12(9-13-3-1-6-21-13)10-18-16(19-15)17-5-8-23-11-14-4-2-7-22-14/h1-4,6-7,10H,5,8-9,11H2,(H2,17,18,19,20)