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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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