6-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(1,3-benzodioxol-5-yl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(1,3-benzodioxol-5-yl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(1,3-benzodioxol-5-yl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(1,3-benzodioxol-5-yl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C12H7N3O3 MolecularWeight: 241.20228

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)N=CN3)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)N=CN3)C#N

InChI

InChI=1S/C12H7N3O3/c13-4-8-11(14-5-15-12(8)16)7-1-2-9-10(3-7)18-6-17-9/h1-3,5H,6H2,(H,14,15,16)