5-nitro-N6-(2-piperidin-1-ylethyl)-N4-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(2-piperidin-1-ylethyl)-N4-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-[2-(1-piperidyl)ethyl]-N4-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-[2-(1-piperidinyl)ethyl]-N4-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(2-piperidin-1-ylethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]-(8-quinolyl)amine Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H23N7O2/c28-27(29)18-19(22-10-13-26-11-2-1-3-12-26)23-14-24-20(18)25-16-8-4-6-15-7-5-9-21-17(15)16/h4-9,14H,1-3,10-13H2,(H2,22,23,24,25)