2-[3-(2-iodanyl-4-methyl-phenoxy)propylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[3-(2-iodanyl-4-methyl-phenoxy)propylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[3-(2-iodo-4-methyl-phenoxy)propylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[3-(2-iodo-4-methylphenoxy)propylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[3-(2-iodo-4-methylphenoxy)propylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[3-(2-iodo-4-methyl-phenoxy)propylthio]-6-methyl-1H-pyrimidin-4-one Formula: C15H17IN2O2S MolecularWeight: 416.27715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCSC2=NC(=O)C=C(N2)C)I

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCSC2=NC(=O)C=C(N2)C)I

InChI

InChI=1S/C15H17IN2O2S/c1-10-4-5-13(12(16)8-10)20-6-3-7-21-15-17-11(2)9-14(19)18-15/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,18,19)