3-hexyl-6-(octylsulfanylmethyl)furo[2,3-d]pyrimidin-2-one

Systemtic Name: 3-hexyl-6-(octylsulfanylmethyl)furo[2,3-d]pyrimidin-2-one Openeye Name: 3-hexyl-6-(octylsulfanylmethyl)furo[2,3-d]pyrimidin-2-one CAS Name: 3-hexyl-6-[(octylthio)methyl]-2-furo[2,3-d]pyrimidinone IUPAC Name: 3-hexyl-6-(octylsulfanylmethyl)furo[2,3-d]pyrimidin-2-one Traditional Name: 3-hexyl-6-[(octylthio)methyl]furo[2,3-d]pyrimidin-2-one Formula: C21H34N2O2S MolecularWeight: 378.57186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCC1=CC2=CN(C(=O)N=C2O1)CCCCCC

Isomeric SMILES

CCCCCCCCSCC1=CC2=CN(C(=O)N=C2O1)CCCCCC

InChI

InChI=1S/C21H34N2O2S/c1-3-5-7-9-10-12-14-26-17-19-15-18-16-23(13-11-8-6-4-2)21(24)22-20(18)25-19/h15-16H,3-14,17H2,1-2H3