2-[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4,5-dimethoxy-2-methyl-benzyl)-methyl-amino]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN(C)CC(=O)N2CCN(CC2)C3=NC=CC=N3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN(C)CC(=O)N2CCN(CC2)C3=NC=CC=N3)OC)OC

InChI

InChI=1S/C21H29N5O3/c1-16-12-18(28-3)19(29-4)13-17(16)14-24(2)15-20(27)25-8-10-26(11-9-25)21-22-6-5-7-23-21/h5-7,12-13H,8-11,14-15H2,1-4H3