2-[(4-chlorophenyl)amino]-4-oxidanylidene-6-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)amino]-4-oxidanylidene-6-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(4-chloroanilino)-4-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-(4-chloroanilino)-4-oxo-6-[4-(1-pyrrolidinyl)phenyl]-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(4-chloroanilino)-4-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(4-chloroanilino)-4-keto-6-(4-pyrrolidinophenyl)-1H-pyrimidine-5-carbonitrile Formula: C21H18ClN5O MolecularWeight: 391.85352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C21H18ClN5O/c22-15-5-7-16(8-6-15)24-21-25-19(18(13-23)20(28)26-21)14-3-9-17(10-4-14)27-11-1-2-12-27/h3-10H,1-2,11-12H2,(H2,24,25,26,28)