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

Systemtic Name: N-[3-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]-5-nitro-thiophene-3-carboxamide Openeye Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-5-nitro-thiophene-3-carboxamide CAS Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-5-nitro-3-thiophenecarboxamide IUPAC Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-5-nitrothiophene-3-carboxamide Traditional Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]-5-nitro-thiophene-3-carboxamide Formula: C22H13ClN6O4S MolecularWeight: 492.89442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CSC(=C2)[N+](=O)[O-])C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CSC(=C2)[N+](=O)[O-])C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C22H13ClN6O4S/c23-14-4-6-15(7-5-14)26-22-27-19(17(10-24)21(31)28-22)12-2-1-3-16(8-12)25-20(30)13-9-18(29(32)33)34-11-13/h1-9,11H,(H,25,30)(H2,26,27,28,31)