4-[(3-nitrophenyl)methylsulfanyl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[(3-nitrophenyl)methylsulfanyl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[(3-nitrophenyl)methylsulfanyl]-6-(1-piperidyl)pyrimidine CAS Name: 4-[(3-nitrophenyl)methylthio]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[(3-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-[(3-nitrobenzyl)thio]-6-piperidino-pyrimidine Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O2S/c21-20(22)14-6-4-5-13(9-14)11-23-16-10-15(17-12-18-16)19-7-2-1-3-8-19/h4-6,9-10,12H,1-3,7-8,11H2