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

Systemtic Name: 5-nitro-N4,N4-bis(phenylmethyl)-N6-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-5-nitro-N6-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4,N4-bis(phenylmethyl)-N6-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: dibenzyl-[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amine Formula: C27H22N6O2 MolecularWeight: 462.50258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC5=C4C=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC5=C4C=CC=N5

InChI

InChI=1S/C27H22N6O2/c34-33(35)25-26(31-24-15-7-14-23-22(24)13-8-16-28-23)29-19-30-27(25)32(17-20-9-3-1-4-10-20)18-21-11-5-2-6-12-21/h1-16,19H,17-18H2,(H,29,30,31)