5-[[(3-azaniumylphenyl)amino]methylidene]-1-(4-iodophenyl)-4,6-bis(oxidanylidene)pyrimidin-2-olate

Systemtic Name: 5-[[(3-azaniumylphenyl)amino]methylidene]-1-(4-iodophenyl)-4,6-bis(oxidanylidene)pyrimidin-2-olate Openeye Name: 5-[(3-azaniumylanilino)methylene]-1-(4-iodophenyl)-4,6-dioxo-pyrimidin-2-olate CAS Name: 5-[(3-ammonioanilino)methylidene]-1-(4-iodophenyl)-4,6-dioxo-2-pyrimidinolate IUPAC Name: 5-[(3-azaniumylanilino)methylidene]-1-(4-iodophenyl)-4,6-dioxopyrimidin-2-olate Traditional Name: 5-[(3-ammonioanilino)methylene]-1-(4-iodophenyl)-4,6-diketo-pyrimidin-2-olate Formula: C17H13IN4O3 MolecularWeight: 448.21459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[NH3+])NC=C2C(=O)N=C(N(C2=O)C3=CC=C(C=C3)I)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[NH3+])NC=C2C(=O)N=C(N(C2=O)C3=CC=C(C=C3)I)[O-]

InChI

InChI=1S/C17H13IN4O3/c18-10-4-6-13(7-5-10)22-16(24)14(15(23)21-17(22)25)9-20-12-3-1-2-11(19)8-12/h1-9,20H,19H2,(H,21,23,25)