[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[2-(4-chlorophenyl)-5,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[2-(4-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazino]-(2-thienyl)methanone Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCN(CC2)C(=O)C3=CC=CS3)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCN(CC2)C(=O)C3=CC=CS3)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C21H21ClN4OS/c1-14-15(2)23-19(16-5-7-17(22)8-6-16)24-20(14)25-9-11-26(12-10-25)21(27)18-4-3-13-28-18/h3-8,13H,9-12H2,1-2H3