(2R)-2-(4-nitrophenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: (2R)-2-(4-nitrophenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-(4-nitrophenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-[(4-nitrophenyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: (2R)-2-(4-nitrophenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-[(4-nitrophenyl)thio]-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=NC=CC=N2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O3S/c1-13(26-15-5-3-14(4-6-15)22(24)25)16(23)20-9-11-21(12-10-20)17-18-7-2-8-19-17/h2-8,13H,9-12H2,1H3/t13-/m1/s1