1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(3,4-dimethylphenyl)-4-[4-(2-pyrimidinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(3,4-dimethylphenyl)-4-[4-(2-pyrimidyl)piperazino]butane-1,4-dione Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C20H24N4O2/c1-15-4-5-17(14-16(15)2)18(25)6-7-19(26)23-10-12-24(13-11-23)20-21-8-3-9-22-20/h3-5,8-9,14H,6-7,10-13H2,1-2H3