N4-cycloheptyl-5-nitro-N6-quinolin-5-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-cycloheptyl-5-nitro-N6-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N4-cycloheptyl-5-nitro-N6-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-5-nitro-N6-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-cycloheptyl-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: cycloheptyl-[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C20H22N6O2/c27-26(28)18-19(24-14-7-3-1-2-4-8-14)22-13-23-20(18)25-17-11-5-10-16-15(17)9-6-12-21-16/h5-6,9-14H,1-4,7-8H2,(H2,22,23,24,25)