5-nitro-N6-(oxolan-2-ylmethyl)-N4-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(oxolan-2-ylmethyl)-N4-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(8-quinolyl)-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(2-oxolanylmethyl)-N4-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(oxolan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C18H18N6O3/c25-24(26)16-17(20-10-13-6-3-9-27-13)21-11-22-18(16)23-14-7-1-4-12-5-2-8-19-15(12)14/h1-2,4-5,7-8,11,13H,3,6,9-10H2,(H2,20,21,22,23)