2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-propan-1-one CAS Name: 2-[(2,6-dimethyl-4-pyrimidinyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[(2,6-dimethylpyrimidin-4-yl)thio]propan-1-one Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)C)SC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4OS/c1-15-13-19(22-17(3)21-15)26-16(2)20(25)24-11-9-23(10-12-24)14-18-7-5-4-6-8-18/h4-8,13,16H,9-12,14H2,1-3H3