1-[4-[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]piperazin-1-yl]-4-phenyl-butan-1-one

Systemtic Name: 1-[4-[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]piperazin-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-4-phenyl-butan-1-one CAS Name: 1-[4-[4-methyl-6-(4-methylanilino)-2-pyrimidinyl]-1-piperazinyl]-4-phenyl-1-butanone IUPAC Name: 1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[4-[4-methyl-6-(p-toluidino)pyrimidin-2-yl]piperazino]-4-phenyl-butan-1-one Formula: C26H31N5O MolecularWeight: 429.55724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3CCN(CC3)C(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3CCN(CC3)C(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O/c1-20-11-13-23(14-12-20)28-24-19-21(2)27-26(29-24)31-17-15-30(16-18-31)25(32)10-6-9-22-7-4-3-5-8-22/h3-5,7-8,11-14,19H,6,9-10,15-18H2,1-2H3,(H,27,28,29)