6-(4-methylphenyl)-4-oxidanylidene-2-(4-phenylpiperazin-1-yl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-4-oxidanylidene-2-(4-phenylpiperazin-1-yl)-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-2-(4-phenylpiperazin-1-yl)-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methylphenyl)-4-oxo-2-(4-phenyl-1-piperazinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methylphenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-(4-phenylpiperazino)-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3CCN(CC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3CCN(CC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C22H21N5O/c1-16-7-9-17(10-8-16)20-19(15-23)21(28)25-22(24-20)27-13-11-26(12-14-27)18-5-3-2-4-6-18/h2-10H,11-14H2,1H3,(H,24,25,28)