1-butoxy-3-[3-chloranyl-4-(2-iodanylpyrimidin-4-yl)sulfanyl-phenyl]-1-methyl-urea

Systemtic Name: 1-butoxy-3-[3-chloranyl-4-(2-iodanylpyrimidin-4-yl)sulfanyl-phenyl]-1-methyl-urea Openeye Name: 1-butoxy-3-[3-chloro-4-(2-iodopyrimidin-4-yl)sulfanyl-phenyl]-1-methyl-urea CAS Name: 1-butoxy-3-[3-chloro-4-[(2-iodo-4-pyrimidinyl)thio]phenyl]-1-methylurea IUPAC Name: 1-butoxy-3-[3-chloro-4-(2-iodopyrimidin-4-yl)sulfanylphenyl]-1-methylurea Traditional Name: 1-butoxy-3-[3-chloro-4-[(2-iodopyrimidin-4-yl)thio]phenyl]-1-methyl-urea Formula: C16H18ClIN4O2S MolecularWeight: 492.76219

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Descriptors Computed from Structure

Canonical SMILES:

CCCCON(C)C(=O)NC1=CC(=C(C=C1)SC2=NC(=NC=C2)I)Cl

Isomeric SMILES

CCCCON(C)C(=O)NC1=CC(=C(C=C1)SC2=NC(=NC=C2)I)Cl

InChI

InChI=1S/C16H18ClIN4O2S/c1-3-4-9-24-22(2)16(23)20-11-5-6-13(12(17)10-11)25-14-7-8-19-15(18)21-14/h5-8,10H,3-4,9H2,1-2H3,(H,20,23)