5-[(3-iodanylphenyl)-(2-methyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]-2-methyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 5-[(3-iodanylphenyl)-(2-methyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]-2-methyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)-(3-iodophenyl)methyl]-2-methyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)-(3-iodophenyl)methyl]-2-methyl-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)-(3-iodophenyl)methyl]-2-methyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-[(4-hydroxy-6-keto-2-methyl-1H-pyrimidin-5-yl)-(3-iodophenyl)methyl]-2-methyl-1H-pyrimidin-6-one Formula: C17H15IN4O4 MolecularWeight: 466.22987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1)C(C2=CC(=CC=C2)I)C3=C(N=C(NC3=O)C)O)O

Isomeric SMILES

CC1=NC(=C(C(=O)N1)C(C2=CC(=CC=C2)I)C3=C(N=C(NC3=O)C)O)O

InChI

InChI=1S/C17H15IN4O4/c1-7-19-14(23)12(15(24)20-7)11(9-4-3-5-10(18)6-9)13-16(25)21-8(2)22-17(13)26/h3-6,11H,1-2H3,(H2,19,20,23,24)(H2,21,22,25,26)