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

Systemtic Name: N4-methyl-N6-(2-methylquinolin-8-yl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N4-methyl-N6-(2-methyl-8-quinolyl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N4-methyl-N6-(2-methyl-8-quinolinyl)-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-methyl-6-N-(2-methylquinolin-8-yl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: methyl-[6-[(2-methyl-8-quinolyl)amino]-5-nitro-pyrimidin-4-yl]-phenyl-amine Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N6O2/c1-14-11-12-15-7-6-10-17(18(15)24-14)25-20-19(27(28)29)21(23-13-22-20)26(2)16-8-4-3-5-9-16/h3-13H,1-2H3,(H,22,23,25)