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

Systemtic Name: N4-cycloheptyl-N6-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cycloheptyl-N6-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-N6-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cycloheptyl-6-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: cycloheptyl-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NC4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NC4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O2/c1-14-11-12-16-17(24-14)9-6-10-18(16)26-21-19(27(28)29)20(22-13-23-21)25-15-7-4-2-3-5-8-15/h6,9-13,15H,2-5,7-8H2,1H3,(H2,22,23,25,26)