5-nitro-N-(2-piperidin-1-ylethyl)-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(2-piperidin-1-ylethyl)-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: 5-nitro-N-[2-(1-piperidyl)ethyl]-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: 5-nitro-N-[2-(1-piperidinyl)ethyl]-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: 5-nitro-N-(2-piperidin-1-ylethyl)-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: [5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]-(2-piperidinoethyl)amine Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O2S/c27-26(28)18-19(22-10-13-25-11-2-1-3-12-25)23-14-24-20(18)29-16-8-4-6-15-7-5-9-21-17(15)16/h4-9,14H,1-3,10-13H2,(H,22,23,24)