1-[4-(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(3-ethoxy-4-hydroxy-5-iodo-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(3-ethoxy-4-hydroxy-5-iodo-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Formula: C15H17IN2O3S MolecularWeight: 432.27655

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)C)I)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)C)I)O

InChI

InChI=1S/C15H17IN2O3S/c1-4-21-11-6-9(5-10(16)14(11)20)13-12(8(3)19)7(2)17-15(22)18-13/h5-6,13,20H,4H2,1-3H3,(H2,17,18,22)