N6-(2-methylquinolin-8-yl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(2-methylquinolin-8-yl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(2-methyl-8-quinolyl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(2-methyl-8-quinolinyl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(2-methylquinolin-8-yl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-[(2-methyl-8-quinolyl)amino]-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C26H21N7O2 MolecularWeight: 463.49064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=N5)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=N5)[N+](=O)[O-])C=C1

InChI

InChI=1S/C26H21N7O2/c1-18-13-14-20-10-7-11-21(23(20)30-18)31-25-24(33(34)35)26(29-17-28-25)32(22-12-5-6-15-27-22)16-19-8-3-2-4-9-19/h2-15,17H,16H2,1H3,(H,28,29,31)