5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-N6-quinolin-5-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-N6-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-5-nitro-N4-(2-pyridyl)-N6-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)-N6-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-4-N-pyridin-2-yl-6-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]-(2-pyridyl)amine Formula: C25H19N7O2 MolecularWeight: 449.46406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC5=C4C=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC5=C4C=CC=N5

InChI

InChI=1S/C25H19N7O2/c33-32(34)23-24(30-21-12-6-11-20-19(21)10-7-15-26-20)28-17-29-25(23)31(22-13-4-5-14-27-22)16-18-8-2-1-3-9-18/h1-15,17H,16H2,(H,28,29,30)