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

Systemtic Name: N4-methyl-N6-(2-methylquinolin-5-yl)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N4-methyl-N6-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-methyl-N6-(2-methyl-5-quinolinyl)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-4-N-methyl-6-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-methyl-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)N(C)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)N(C)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O2/c1-15-11-12-17-18(25-15)9-6-10-19(17)26-21-20(28(29)30)22(24-14-23-21)27(2)13-16-7-4-3-5-8-16/h3-12,14H,13H2,1-2H3,(H,23,24,26)