N6-[(4-fluorophenyl)methyl]-5-nitro-N4-propan-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-fluorophenyl)methyl]-5-nitro-N4-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-[(4-fluorophenyl)methyl]-N4-isopropyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-fluorophenyl)methyl]-5-nitro-N4-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-fluorophenyl)methyl]-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: (4-fluorobenzyl)-[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H16FN5O2 MolecularWeight: 305.307543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)F

InChI

InChI=1S/C14H16FN5O2/c1-9(2)19-14-12(20(21)22)13(17-8-18-14)16-7-10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H2,16,17,18,19)