4-(2-azanyl-5-iodanyl-4-oxidanylidene-1H-pyrimidin-6-yl)benzenecarbonitrile

Systemtic Name: 4-(2-azanyl-5-iodanyl-4-oxidanylidene-1H-pyrimidin-6-yl)benzenecarbonitrile Openeye Name: 4-(2-amino-5-iodo-4-oxo-1H-pyrimidin-6-yl)benzonitrile CAS Name: 4-(2-amino-5-iodo-4-oxo-1H-pyrimidin-6-yl)benzonitrile IUPAC Name: 4-(2-amino-5-iodo-4-oxo-1H-pyrimidin-6-yl)benzonitrile Traditional Name: 4-(2-amino-5-iodo-4-keto-1H-pyrimidin-6-yl)benzonitrile Formula: C11H7IN4O MolecularWeight: 338.10395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=C(C(=O)N=C(N2)N)I

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=C(C(=O)N=C(N2)N)I

InChI

InChI=1S/C11H7IN4O/c12-8-9(15-11(14)16-10(8)17)7-3-1-6(5-13)2-4-7/h1-4H,(H3,14,15,16,17)