5-(furan-3-ylmethyl)-2-(6-phenylmethoxyhexylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-(furan-3-ylmethyl)-2-(6-phenylmethoxyhexylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-(6-benzyloxyhexylsulfanyl)-5-(3-furylmethyl)-1H-pyrimidin-6-one CAS Name: 5-(3-furanylmethyl)-2-(6-phenylmethoxyhexylthio)-1H-pyrimidin-6-one IUPAC Name: 5-(furan-3-ylmethyl)-2-(6-phenylmethoxyhexylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 2-(6-benzoxyhexylthio)-5-(3-furfuryl)-1H-pyrimidin-6-one Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCCCCSC2=NC=C(C(=O)N2)CC3=COC=C3

Isomeric SMILES

C1=CC=C(C=C1)COCCCCCCSC2=NC=C(C(=O)N2)CC3=COC=C3

InChI

InChI=1S/C22H26N2O3S/c25-21-20(14-19-10-12-27-17-19)15-23-22(24-21)28-13-7-2-1-6-11-26-16-18-8-4-3-5-9-18/h3-5,8-10,12,15,17H,1-2,6-7,11,13-14,16H2,(H,23,24,25)