1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)propan-1-one

Systemtic Name: 1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)propan-1-one Openeye Name: 2-benzylsulfanyl-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-2-(phenylmethylthio)-1-propanone IUPAC Name: 2-benzylsulfanyl-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(benzylthio)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]propan-1-one Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C(C)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C(C)SCC3=CC=CC=C3

InChI

InChI=1S/C22H30N4OS/c1-16(2)21-23-17(3)14-20(24-21)25-10-12-26(13-11-25)22(27)18(4)28-15-19-8-6-5-7-9-19/h5-9,14,16,18H,10-13,15H2,1-4H3