1-[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-(2,6-dimethyl-5-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]-2-(phenylthio)ethanone Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CSC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CSC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C21H28N4OS/c1-15(2)20-16(3)22-17(4)23-21(20)25-12-10-24(11-13-25)19(26)14-27-18-8-6-5-7-9-18/h5-9,15H,10-14H2,1-4H3