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

Systemtic Name: 1-[4-[4-[(4-methoxyphenyl)amino]-6-methyl-pyrimidin-2-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-[4-(4-methoxyanilino)-6-methyl-pyrimidin-2-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-[4-(4-methoxyanilino)-6-methyl-2-pyrimidinyl]-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 3,3-dimethyl-1-[4-[4-methyl-6-(p-anisidino)pyrimidin-2-yl]piperazino]butan-1-one Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)CC(C)(C)C)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)CC(C)(C)C)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H31N5O2/c1-16-14-19(24-17-6-8-18(29-5)9-7-17)25-21(23-16)27-12-10-26(11-13-27)20(28)15-22(2,3)4/h6-9,14H,10-13,15H2,1-5H3,(H,23,24,25)