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

Systemtic Name: 5-nitro-N4-[[(2R)-oxolan-2-yl]methyl]-N2-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N2-benzyl-5-nitro-N4-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4,6-triamine CAS Name: 5-nitro-N4-[[(2R)-2-oxolanyl]methyl]-N2-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 2-N-benzyl-5-nitro-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(benzylamino)-5-nitro-pyrimidin-4-yl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](OC1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CC=C3

InChI

InChI=1S/C16H20N6O3/c17-14-13(22(23)24)15(18-10-12-7-4-8-25-12)21-16(20-14)19-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H4,17,18,19,20,21)/t12-/m1/s1