2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-5-iodanyl-1-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-5-iodanyl-1-(phenylmethyl)pyrimidin-4-one Openeye Name: 1-benzyl-2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-5-iodo-pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-5-iodo-1-(phenylmethyl)-4-pyrimidinone IUPAC Name: 1-benzyl-2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-5-iodopyrimidin-4-one Traditional Name: 1-benzyl-2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-5-iodo-pyrimidin-4-one Formula: C25H26ClIN2O2S MolecularWeight: 580.90861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)I

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)I

InChI

InChI=1S/C25H26ClIN2O2S/c26-21-14-12-20(13-15-21)23(30)11-7-2-1-3-8-16-32-25-28-24(31)22(27)18-29(25)17-19-9-5-4-6-10-19/h4-6,9-10,12-15,18H,1-3,7-8,11,16-17H2