N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-furyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-furanyl)-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-(2-furyl)-2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-piperonylamide Formula: C21H17N5O5 MolecularWeight: 419.39018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C21H17N5O5/c1-11-12(2)22-21(24-19(11)27)26-18(9-14(25-26)15-4-3-7-29-15)23-20(28)13-5-6-16-17(8-13)31-10-30-16/h3-9H,10H2,1-2H3,(H,23,28)(H,22,24,27)