N2-(3-morpholin-4-ylpropyl)-5-nitro-N4-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine

Systemtic Name: N2-(3-morpholin-4-ylpropyl)-5-nitro-N4-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Openeye Name: N2-(3-morpholinopropyl)-5-nitro-N4-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4,6-triamine CAS Name: N2-[3-(4-morpholinyl)propyl]-5-nitro-N4-[[(2R)-2-oxolanyl]methyl]pyrimidine-2,4,6-triamine IUPAC Name: 2-N-(3-morpholin-4-ylpropyl)-5-nitro-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C16H27N7O4 MolecularWeight: 381.43008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN3CCOCC3

Isomeric SMILES

C1C[C@@H](OC1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN3CCOCC3

InChI

InChI=1S/C16H27N7O4/c17-14-13(23(24)25)15(19-11-12-3-1-8-27-12)21-16(20-14)18-4-2-5-22-6-9-26-10-7-22/h12H,1-11H2,(H4,17,18,19,20,21)/t12-/m1/s1