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

Systemtic Name: N4-cyclopentyl-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cyclopentyl-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cyclopentyl-N6-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cyclopentyl-6-N-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: cyclopentyl-[6-[(4-fluorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H18FN5O2 MolecularWeight: 331.344823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H18FN5O2/c17-12-7-5-11(6-8-12)9-18-15-14(22(23)24)16(20-10-19-15)21-13-3-1-2-4-13/h5-8,10,13H,1-4,9H2,(H2,18,19,20,21)