3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propan-1-one Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4OS/c1-16-19(17(2)23-21(22-16)27-3)9-10-20(26)25-13-11-24(12-14-25)15-18-7-5-4-6-8-18/h4-8H,9-15H2,1-3H3