N4-cycloheptyl-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-cycloheptyl-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cycloheptyl-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-N6-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cycloheptyl-6-N-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: cycloheptyl-[6-[(4-fluorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H22FN5O2 MolecularWeight: 359.397983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H22FN5O2/c19-14-9-7-13(8-10-14)11-20-17-16(24(25)26)18(22-12-21-17)23-15-5-3-1-2-4-6-15/h7-10,12,15H,1-6,11H2,(H2,20,21,22,23)