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

Systemtic Name: N-[4-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]thiophene-3-carboxamide Openeye Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]thiophene-3-carboxamide CAS Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]thiophene-3-carboxamide Traditional Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]thiophene-3-carboxamide Formula: C22H14ClN5O2S MolecularWeight: 447.89686

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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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H14ClN5O2S/c23-15-3-7-17(8-4-15)26-22-27-19(18(11-24)21(30)28-22)13-1-5-16(6-2-13)25-20(29)14-9-10-31-12-14/h1-10,12H,(H,25,29)(H2,26,27,28,30)