4-(2-ethylpiperidin-1-yl)-5-nitro-6-phenylsulfanyl-pyrimidine

Systemtic Name: 4-(2-ethylpiperidin-1-yl)-5-nitro-6-phenylsulfanyl-pyrimidine Openeye Name: 4-(2-ethyl-1-piperidyl)-5-nitro-6-phenylsulfanyl-pyrimidine CAS Name: 4-(2-ethyl-1-piperidinyl)-5-nitro-6-(phenylthio)pyrimidine IUPAC Name: 4-(2-ethylpiperidin-1-yl)-5-nitro-6-phenylsulfanylpyrimidine Traditional Name: 4-(2-ethylpiperidino)-5-nitro-6-(phenylthio)pyrimidine Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O2S/c1-2-13-8-6-7-11-20(13)16-15(21(22)23)17(19-12-18-16)24-14-9-4-3-5-10-14/h3-5,9-10,12-13H,2,6-8,11H2,1H3