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

Systemtic Name: 3-bromanyl-N-[4-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]thiophene-2-carboxamide Openeye Name: 3-bromo-N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]thiophene-2-carboxamide CAS Name: 3-bromo-N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-2-thiophenecarboxamide IUPAC Name: 3-bromo-N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]thiophene-2-carboxamide Traditional Name: 3-bromo-N-[4-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]thiophene-2-carboxamide Formula: C22H13BrClN5O2S MolecularWeight: 526.79292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N)NC(=O)C4=C(C=CS4)Br

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N)NC(=O)C4=C(C=CS4)Br

InChI

InChI=1S/C22H13BrClN5O2S/c23-17-9-10-32-19(17)21(31)26-14-5-1-12(2-6-14)18-16(11-25)20(30)29-22(28-18)27-15-7-3-13(24)4-8-15/h1-10H,(H,26,31)(H2,27,28,29,30)