N4-(2-methylquinolin-5-yl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-methylquinolin-5-yl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-methyl-5-quinolyl)-N6-(3-morpholinopropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-methyl-5-quinolinyl)-N6-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methylquinolin-5-yl)-6-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-methyl-5-quinolyl)-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H25N7O3 MolecularWeight: 423.4683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NCCCN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NCCCN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N7O3/c1-15-6-7-16-17(25-15)4-2-5-18(16)26-21-19(28(29)30)20(23-14-24-21)22-8-3-9-27-10-12-31-13-11-27/h2,4-7,14H,3,8-13H2,1H3,(H2,22,23,24,26)