5-nitro-6-phenylsulfanyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine

Systemtic Name: 5-nitro-6-phenylsulfanyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine Openeye Name: 5-nitro-6-phenylsulfanyl-N-[2-(1-piperidyl)ethyl]pyrimidin-4-amine CAS Name: 5-nitro-6-(phenylthio)-N-[2-(1-piperidinyl)ethyl]-4-pyrimidinamine IUPAC Name: 5-nitro-6-phenylsulfanyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(phenylthio)pyrimidin-4-yl]-(2-piperidinoethyl)amine Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCNC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O2S/c23-22(24)15-16(18-9-12-21-10-5-2-6-11-21)19-13-20-17(15)25-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,18,19,20)