N-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidin-5-yl]methyl]-2,2-dimethyl-propan-1-amine

Systemtic Name: N-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidin-5-yl]methyl]-2,2-dimethyl-propan-1-amine Openeye Name: N-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidin-5-yl]methyl]-2,2-dimethyl-propan-1-amine CAS Name: N-[[4-[4-(2-fluorophenyl)-1-piperazinyl]-2-(methylthio)-5-pyrimidinyl]methyl]-2,2-dimethyl-1-propanamine IUPAC Name: N-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidin-5-yl]methyl]-2,2-dimethylpropan-1-amine Traditional Name: [4-[4-(2-fluorophenyl)piperazino]-2-(methylthio)pyrimidin-5-yl]methyl-neopentyl-amine Formula: C21H30FN5S MolecularWeight: 403.559803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNCC1=CN=C(N=C1N2CCN(CC2)C3=CC=CC=C3F)SC

Isomeric SMILES

CC(C)(C)CNCC1=CN=C(N=C1N2CCN(CC2)C3=CC=CC=C3F)SC

InChI

InChI=1S/C21H30FN5S/c1-21(2,3)15-23-13-16-14-24-20(28-4)25-19(16)27-11-9-26(10-12-27)18-8-6-5-7-17(18)22/h5-8,14,23H,9-13,15H2,1-4H3