6-cyclohexyl-5-iodanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-cyclohexyl-5-iodanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-cyclohexyl-5-iodo-1H-pyrimidin-4-one CAS Name: 6-cyclohexyl-5-iodo-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-cyclohexyl-5-iodo-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-6-cyclohexyl-5-iodo-1H-pyrimidin-4-one Formula: C17H19IN2OS MolecularWeight: 426.31503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C(=O)N=C(N2)SCC3=CC=CC=C3)I

Isomeric SMILES

C1CCC(CC1)C2=C(C(=O)N=C(N2)SCC3=CC=CC=C3)I

InChI

InChI=1S/C17H19IN2OS/c18-14-15(13-9-5-2-6-10-13)19-17(20-16(14)21)22-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,19,20,21)