[(4S)-4-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[(6-amino-5-nitro-4-pyrimidinyl)amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[(6-amino-5-nitropyrimidin-4-yl)amino]pentyl]-diethylazanium Traditional Name: [(4S)-4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]pentyl]-diethyl-ammonium Formula: C13H25N6O2+ MolecularWeight: 297.3766

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC1=NC=NC(=C1[N+](=O)[O-])N

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC1=NC=NC(=C1[N+](=O)[O-])N

InChI

InChI=1S/C13H24N6O2/c1-4-18(5-2)8-6-7-10(3)17-13-11(19(20)21)12(14)15-9-16-13/h9-10H,4-8H2,1-3H3,(H3,14,15,16,17)/p+1/t10-/m0/s1