5-nitro-N4-[[(2R)-oxolan-2-yl]methyl]-N2-phenethyl-pyrimidine-2,4,6-triamine

Systemtic Name: 5-nitro-N4-[[(2R)-oxolan-2-yl]methyl]-N2-phenethyl-pyrimidine-2,4,6-triamine Openeye Name: 5-nitro-N2-phenethyl-N4-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4,6-triamine CAS Name: 5-nitro-N4-[[(2R)-2-oxolanyl]methyl]-N2-phenethylpyrimidine-2,4,6-triamine IUPAC Name: 5-nitro-4-N-[[(2R)-oxolan-2-yl]methyl]-2-N-phenethylpyrimidine-2,4,6-triamine Traditional Name: [6-amino-5-nitro-2-(phenethylamino)pyrimidin-4-yl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](OC1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC3=CC=CC=C3

InChI

InChI=1S/C17H22N6O3/c18-15-14(23(24)25)16(20-11-13-7-4-10-26-13)22-17(21-15)19-9-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H4,18,19,20,21,22)/t13-/m1/s1