N4-tert-butyl-5-nitro-N6-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-tert-butyl-5-nitro-N6-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: N4-tert-butyl-5-nitro-N6-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N4-tert-butyl-5-nitro-N6-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-tert-butyl-5-nitro-6-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: tert-butyl-[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]amine Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C17H18N6O2/c1-17(2,3)22-16-14(23(24)25)15(19-10-20-16)21-12-8-4-6-11-7-5-9-18-13(11)12/h4-10H,1-3H3,(H2,19,20,21,22)