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

Systemtic Name: 3-cyclohexyl-1-[4-[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]piperazin-1-yl]propan-1-one Openeye Name: 3-cyclohexyl-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one CAS Name: 3-cyclohexyl-1-[4-[4-methyl-6-(4-methylanilino)-2-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-cyclohexyl-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one Traditional Name: 3-cyclohexyl-1-[4-[4-methyl-6-(p-toluidino)pyrimidin-2-yl]piperazino]propan-1-one Formula: C25H35N5O MolecularWeight: 421.5783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3CCN(CC3)C(=O)CCC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3CCN(CC3)C(=O)CCC4CCCCC4

InChI

InChI=1S/C25H35N5O/c1-19-8-11-22(12-9-19)27-23-18-20(2)26-25(28-23)30-16-14-29(15-17-30)24(31)13-10-21-6-4-3-5-7-21/h8-9,11-12,18,21H,3-7,10,13-17H2,1-2H3,(H,26,27,28)