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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=C(S2)[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=CC=C(S2)[N+](=O)[O-])C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

InChI

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