N-[3-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]-piperonylamide Formula: C25H16ClN5O4 MolecularWeight: 485.87864

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=C(C(=O)N=C(N4)NC5=CC=C(C=C5)Cl)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=C(C(=O)N=C(N4)NC5=CC=C(C=C5)Cl)C#N

InChI

InChI=1S/C25H16ClN5O4/c26-16-5-7-17(8-6-16)29-25-30-22(19(12-27)24(33)31-25)14-2-1-3-18(10-14)28-23(32)15-4-9-20-21(11-15)35-13-34-20/h1-11H,13H2,(H,28,32)(H2,29,30,31,33)