N6-[3,4-bis(fluoranyl)phenyl]-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[3,4-bis(fluoranyl)phenyl]-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cycloheptyl-N6-(3,4-difluorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-N6-(3,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cycloheptyl-6-N-(3,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cycloheptyl-[6-(3,4-difluoroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H19F2N5O2 MolecularWeight: 363.361866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19F2N5O2/c18-13-8-7-12(9-14(13)19)23-17-15(24(25)26)16(20-10-21-17)22-11-5-3-1-2-4-6-11/h7-11H,1-6H2,(H2,20,21,22,23)