2-[(4-chlorophenyl)amino]-4-oxidanylidene-6-[4-(2-piperidin-1-ylethylamino)phenyl]-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)amino]-4-oxidanylidene-6-[4-(2-piperidin-1-ylethylamino)phenyl]-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(4-chloroanilino)-4-oxo-6-[4-[2-(1-piperidyl)ethylamino]phenyl]-1H-pyrimidine-5-carbonitrile CAS Name: 2-(4-chloroanilino)-4-oxo-6-[4-[2-(1-piperidinyl)ethylamino]phenyl]-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(4-chloroanilino)-4-oxo-6-[4-(2-piperidin-1-ylethylamino)phenyl]-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(4-chloroanilino)-4-keto-6-[4-(2-piperidinoethylamino)phenyl]-1H-pyrimidine-5-carbonitrile Formula: C24H25ClN6O MolecularWeight: 448.9479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=CC=C(C=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1CCN(CC1)CCNC2=CC=C(C=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C24H25ClN6O/c25-18-6-10-20(11-7-18)28-24-29-22(21(16-26)23(32)30-24)17-4-8-19(9-5-17)27-12-15-31-13-2-1-3-14-31/h4-11,27H,1-3,12-15H2,(H2,28,29,30,32)