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

Systemtic Name: N-[4-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]benzothiophene-2-carboxamide CAS Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]benzothiophene-2-carboxamide Formula: C26H16ClN5O2S MolecularWeight: 497.95554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C(=O)NC3=CC=C(C=C3)C4=C(C(=O)N=C(N4)NC5=CC=C(C=C5)Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C(=O)NC3=CC=C(C=C3)C4=C(C(=O)N=C(N4)NC5=CC=C(C=C5)Cl)C#N

InChI

InChI=1S/C26H16ClN5O2S/c27-17-7-11-19(12-8-17)30-26-31-23(20(14-28)24(33)32-26)15-5-9-18(10-6-15)29-25(34)22-13-16-3-1-2-4-21(16)35-22/h1-13H,(H,29,34)(H2,30,31,32,33)