6-(1,3-benzodioxol-5-yl)-4-oxidanylidene-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-4-oxidanylidene-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(1,3-benzodioxol-5-yl)-4-oxo-2-(1-piperidyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-(1,3-benzodioxol-5-yl)-4-oxo-2-(1-piperidinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(1,3-benzodioxol-5-yl)-4-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(1,3-benzodioxol-5-yl)-4-keto-2-piperidino-1H-pyrimidine-5-carbonitrile Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=O)C(=C(N2)C3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

C1CCN(CC1)C2=NC(=O)C(=C(N2)C3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C17H16N4O3/c18-9-12-15(11-4-5-13-14(8-11)24-10-23-13)19-17(20-16(12)22)21-6-2-1-3-7-21/h4-5,8H,1-3,6-7,10H2,(H,19,20,22)