6-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-(4-phenyl-1-piperazinyl)-4-pyrimidinecarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carbonitrile Traditional Name: 6-(4-methoxyphenyl)-2-(4-phenylpiperazino)pyrimidine-4-carbonitrile Formula: C22H21N5O MolecularWeight: 371.43504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NC(=C2)C#N)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NC(=C2)C#N)N3CCN(CC3)C4=CC=CC=C4

InChI

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