(4-methyl-2-methylsulfanyl-pyrimidin-5-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (4-methyl-2-methylsulfanyl-pyrimidin-5-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(4-methyl-2-methylsulfanyl-pyrimidin-5-yl)methanone CAS Name: [4-methyl-2-(methylthio)-5-pyrimidinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(4-methyl-2-methylsulfanylpyrimidin-5-yl)methanone Traditional Name: (4-benzylpiperazino)-[4-methyl-2-(methylthio)pyrimidin-5-yl]methanone Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)N2CCN(CC2)CC3=CC=CC=C3)SC

Isomeric SMILES

CC1=NC(=NC=C1C(=O)N2CCN(CC2)CC3=CC=CC=C3)SC

InChI

InChI=1S/C18H22N4OS/c1-14-16(12-19-18(20-14)24-2)17(23)22-10-8-21(9-11-22)13-15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3