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

Systemtic Name: N-[3-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]quinoxaline-2-carboxamide Openeye Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]quinoxaline-2-carboxamide CAS Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-2-quinoxalinecarboxamide IUPAC Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]quinoxaline-2-carboxamide Traditional Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]quinoxaline-2-carboxamide Formula: C26H16ClN7O2 MolecularWeight: 493.90394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)C(=O)NC3=CC=CC(=C3)C4=C(C(=O)N=C(N4)NC5=CC=C(C=C5)Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)C(=O)NC3=CC=CC(=C3)C4=C(C(=O)N=C(N4)NC5=CC=C(C=C5)Cl)C#N

InChI

InChI=1S/C26H16ClN7O2/c27-16-8-10-17(11-9-16)31-26-33-23(19(13-28)24(35)34-26)15-4-3-5-18(12-15)30-25(36)22-14-29-20-6-1-2-7-21(20)32-22/h1-12,14H,(H,30,36)(H2,31,33,34,35)