N6-(3-bromophenyl)-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-bromophenyl)-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-bromophenyl)-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-bromophenyl)-N4-cycloheptyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-bromophenyl)-4-N-cycloheptyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-cycloheptyl-amine Formula: C17H20BrN5O2 MolecularWeight: 406.277

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H20BrN5O2/c18-12-6-5-9-14(10-12)22-17-15(23(24)25)16(19-11-20-17)21-13-7-3-1-2-4-8-13/h5-6,9-11,13H,1-4,7-8H2,(H2,19,20,21,22)