N6-[2-(cyclohexen-1-yl)ethyl]-N4-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(cyclohexen-1-yl)ethyl]-N4-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(cyclohexen-1-yl)ethyl]-N4-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(1-cyclohexenyl)ethyl]-N4-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NCCC4=CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NCCC4=CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O2/c1-15-10-11-17-18(26-15)8-5-9-19(17)27-22-20(28(29)30)21(24-14-25-22)23-13-12-16-6-3-2-4-7-16/h5-6,8-11,14H,2-4,7,12-13H2,1H3,(H2,23,24,25,27)