2-[4-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]piperazino]ethanol Formula: C17H21N5O3S MolecularWeight: 375.44534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

InChI

InChI=1S/C17H21N5O3S/c1-13-2-4-14(5-3-13)26-17-15(22(24)25)16(18-12-19-17)21-8-6-20(7-9-21)10-11-23/h2-5,12,23H,6-11H2,1H3