4,5-bis(azanyl)-3-[2-(4-iodophenyl)-2-oxidanylidene-ethyl]-1H-pyrimidin-3-ium-6-one

Systemtic Name: 4,5-bis(azanyl)-3-[2-(4-iodophenyl)-2-oxidanylidene-ethyl]-1H-pyrimidin-3-ium-6-one Openeye Name: 4,5-diamino-3-[2-(4-iodophenyl)-2-oxo-ethyl]-1H-pyrimidin-3-ium-6-one CAS Name: 4,5-diamino-3-[2-(4-iodophenyl)-2-oxoethyl]-1H-pyrimidin-3-ium-6-one IUPAC Name: 4,5-diamino-3-[2-(4-iodophenyl)-2-oxoethyl]-1H-pyrimidin-3-ium-6-one Traditional Name: 4,5-diamino-3-[2-(4-iodophenyl)-2-keto-ethyl]-1H-pyrimidin-3-ium-6-one Formula: C12H12IN4O2+ MolecularWeight: 371.15375

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C[N+]2=CNC(=O)C(=C2N)N)I

Isomeric SMILES

C1=CC(=CC=C1C(=O)C[N+]2=CNC(=O)C(=C2N)N)I

InChI

InChI=1S/C12H11IN4O2/c13-8-3-1-7(2-4-8)9(18)5-17-6-16-12(19)10(14)11(17)15/h1-4,6H,5,14H2,(H2,15,19)/p+1