N-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidin-5-yl]methyl]-3-imidazol-1-yl-propan-1-amine

Systemtic Name: N-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidin-5-yl]methyl]-3-imidazol-1-yl-propan-1-amine Openeye Name: N-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidin-5-yl]methyl]-3-imidazol-1-yl-propan-1-amine CAS Name: N-[[4-[4-(2-fluorophenyl)-1-piperazinyl]-2-(methylthio)-5-pyrimidinyl]methyl]-3-(1-imidazolyl)-1-propanamine IUPAC Name: N-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidin-5-yl]methyl]-3-imidazol-1-ylpropan-1-amine Traditional Name: [4-[4-(2-fluorophenyl)piperazino]-2-(methylthio)pyrimidin-5-yl]methyl-(3-imidazol-1-ylpropyl)amine Formula: C22H28FN7S MolecularWeight: 441.568023

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)N2CCN(CC2)C3=CC=CC=C3F)CNCCCN4C=CN=C4

Isomeric SMILES

CSC1=NC=C(C(=N1)N2CCN(CC2)C3=CC=CC=C3F)CNCCCN4C=CN=C4

InChI

InChI=1S/C22H28FN7S/c1-31-22-26-16-18(15-24-7-4-9-28-10-8-25-17-28)21(27-22)30-13-11-29(12-14-30)20-6-3-2-5-19(20)23/h2-3,5-6,8,10,16-17,24H,4,7,9,11-15H2,1H3