2-[(4-chlorophenyl)amino]-6-(9-ethylcarbazol-3-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)amino]-6-(9-ethylcarbazol-3-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(4-chloroanilino)-6-(9-ethylcarbazol-3-yl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(4-chloroanilino)-6-(9-ethyl-3-carbazolyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(4-chloroanilino)-6-(9-ethylcarbazol-3-yl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(4-chloroanilino)-6-(9-ethylcarbazol-3-yl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C25H18ClN5O MolecularWeight: 439.89632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N)C5=CC=CC=C51

InChI

InChI=1S/C25H18ClN5O/c1-2-31-21-6-4-3-5-18(21)19-13-15(7-12-22(19)31)23-20(14-27)24(32)30-25(29-23)28-17-10-8-16(26)9-11-17/h3-13H,2H2,1H3,(H2,28,29,30,32)