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

Systemtic Name: 3-methyl-1-[4-[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[4-methyl-6-(4-methylanilino)-2-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-[4-methyl-6-(p-toluidino)pyrimidin-2-yl]piperazino]butan-1-one Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O/c1-15(2)13-20(27)25-9-11-26(12-10-25)21-22-17(4)14-19(24-21)23-18-7-5-16(3)6-8-18/h5-8,14-15H,9-13H2,1-4H3,(H,22,23,24)