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

Systemtic Name: 5-(furan-2-ylmethyl)-2-(6-phenylmethoxyhexylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-(6-benzyloxyhexylsulfanyl)-5-(2-furylmethyl)-1H-pyrimidin-6-one CAS Name: 5-(2-furanylmethyl)-2-(6-phenylmethoxyhexylthio)-1H-pyrimidin-6-one IUPAC Name: 5-(furan-2-ylmethyl)-2-(6-phenylmethoxyhexylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 2-(6-benzoxyhexylthio)-5-(2-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=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)COCCCCCCSC2=NC=C(C(=O)N2)CC3=CC=CO3

InChI

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