(2S)-2-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-2-phenyl-acetic acid CAS Name: (2S)-2-[[4-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]-2-phenylacetic acid IUPAC Name: (2S)-2-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-2-phenylacetic acid Traditional Name: (2S)-2-[[4-(4-methylpiperazino)pyrimidin-2-yl]thio]-2-phenyl-acetic acid Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC=C2)SC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC=C2)S[C@@H](C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H20N4O2S/c1-20-9-11-21(12-10-20)14-7-8-18-17(19-14)24-15(16(22)23)13-5-3-2-4-6-13/h2-8,15H,9-12H2,1H3,(H,22,23)/t15-/m0/s1