N-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)quinolin-5-amine

Systemtic Name: N-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)quinolin-5-amine Openeye Name: N-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]quinolin-5-amine CAS Name: N-[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]-5-quinolinamine IUPAC Name: N-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)quinolin-5-amine Traditional Name: (5-nitro-6-piperidino-pyrimidin-4-yl)-(5-quinolyl)amine Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O2/c25-24(26)16-17(20-12-21-18(16)23-10-2-1-3-11-23)22-15-8-4-7-14-13(15)6-5-9-19-14/h4-9,12H,1-3,10-11H2,(H,20,21,22)