N6-(4-butoxyphenyl)-5-nitro-N4-quinolin-5-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-butoxyphenyl)-5-nitro-N4-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N6-(4-butoxyphenyl)-5-nitro-N4-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-(4-butoxyphenyl)-5-nitro-N4-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butoxyphenyl)-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-(5-quinolyl)amine Formula: C23H22N6O3 MolecularWeight: 430.45918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O3/c1-2-3-14-32-17-11-9-16(10-12-17)27-22-21(29(30)31)23(26-15-25-22)28-20-8-4-7-19-18(20)6-5-13-24-19/h4-13,15H,2-3,14H2,1H3,(H2,25,26,27,28)