6-(hexylsulfanylmethyl)-3-octyl-furo[2,3-d]pyrimidin-2-one

Systemtic Name: 6-(hexylsulfanylmethyl)-3-octyl-furo[2,3-d]pyrimidin-2-one Openeye Name: 6-(hexylsulfanylmethyl)-3-octyl-furo[2,3-d]pyrimidin-2-one CAS Name: 6-[(hexylthio)methyl]-3-octyl-2-furo[2,3-d]pyrimidinone IUPAC Name: 6-(hexylsulfanylmethyl)-3-octylfuro[2,3-d]pyrimidin-2-one Traditional Name: 6-[(hexylthio)methyl]-3-octyl-furo[2,3-d]pyrimidin-2-one Formula: C21H34N2O2S MolecularWeight: 378.57186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C2C=C(OC2=NC1=O)CSCCCCCC

Isomeric SMILES

CCCCCCCCN1C=C2C=C(OC2=NC1=O)CSCCCCCC

InChI

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