1-(2,5-dimethylthiophen-3-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(2,5-dimethyl-3-thienyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-4-[4-(2-pyrimidinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-(2-pyrimidyl)piperazino]butane-1,4-dione Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H22N4O2S/c1-13-12-15(14(2)25-13)16(23)4-5-17(24)21-8-10-22(11-9-21)18-19-6-3-7-20-18/h3,6-7,12H,4-5,8-11H2,1-2H3