N2-(3-azanylpropyl)-5-nitro-N4-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine

Systemtic Name: N2-(3-azanylpropyl)-5-nitro-N4-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Openeye Name: N2-(3-aminopropyl)-5-nitro-N4-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4,6-triamine CAS Name: N2-(3-aminopropyl)-5-nitro-N4-[[(2S)-2-oxolanyl]methyl]pyrimidine-2,4,6-triamine IUPAC Name: 2-N-(3-aminopropyl)-5-nitro-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3-aminopropylamino)-5-nitro-pyrimidin-4-yl]-[[(2S)-tetrahydrofuran-2-yl]methyl]amine Formula: C12H21N7O3 MolecularWeight: 311.34024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN

Isomeric SMILES

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

InChI

InChI=1S/C12H21N7O3/c13-4-2-5-15-12-17-10(14)9(19(20)21)11(18-12)16-7-8-3-1-6-22-8/h8H,1-7,13H2,(H4,14,15,16,17,18)/t8-/m0/s1