4-[[2-azanyl-5-iodanyl-4,6-bis(oxidanylidene)-1H-pyrimidin-5-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-azanyl-5-iodanyl-4,6-bis(oxidanylidene)-1H-pyrimidin-5-yl]methyl]benzoic acid Openeye Name: 4-[(2-amino-5-iodo-4,6-dioxo-1H-pyrimidin-5-yl)methyl]benzoic acid CAS Name: 4-[(2-amino-5-iodo-4,6-dioxo-1H-pyrimidin-5-yl)methyl]benzoic acid IUPAC Name: 4-[(2-amino-5-iodo-4,6-dioxo-1H-pyrimidin-5-yl)methyl]benzoic acid Traditional Name: 4-[(2-amino-5-iodo-4,6-diketo-1H-pyrimidin-5-yl)methyl]benzoic acid Formula: C12H10IN3O4 MolecularWeight: 387.12997

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2(C(=O)NC(=NC2=O)N)I)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2(C(=O)NC(=NC2=O)N)I)C(=O)O

InChI

InChI=1S/C12H10IN3O4/c13-12(9(19)15-11(14)16-10(12)20)5-6-1-3-7(4-2-6)8(17)18/h1-4H,5H2,(H,17,18)(H3,14,15,16,19,20)