3,3-dimethyl-1-[4-[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]piperazin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[4-methyl-6-(4-methylanilino)-2-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[4-[4-methyl-6-(p-toluidino)pyrimidin-2-yl]piperazino]butan-1-one Formula: C22H31N5O MolecularWeight: 381.51444

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)CC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O/c1-16-6-8-18(9-7-16)24-19-14-17(2)23-21(25-19)27-12-10-26(11-13-27)20(28)15-22(3,4)5/h6-9,14H,10-13,15H2,1-5H3,(H,23,24,25)