5-nitro-N6-phenethyl-N4-quinolin-5-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-phenethyl-N4-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-phenethyl-N4-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-phenethyl-N4-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-phenethyl-4-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(phenethylamino)pyrimidin-4-yl]-(5-quinolyl)amine Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C21H18N6O2/c28-27(29)19-20(23-13-11-15-6-2-1-3-7-15)24-14-25-21(19)26-18-10-4-9-17-16(18)8-5-12-22-17/h1-10,12,14H,11,13H2,(H2,23,24,25,26)