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

Systemtic Name: N2-(2-methylpropyl)-5-nitro-N4-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Openeye Name: N2-isobutyl-5-nitro-N4-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4,6-triamine CAS Name: N2-(2-methylpropyl)-5-nitro-N4-[[(2R)-2-oxolanyl]methyl]pyrimidine-2,4,6-triamine IUPAC Name: 2-N-(2-methylpropyl)-5-nitro-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(isobutylamino)-5-nitro-pyrimidin-4-yl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C13H22N6O3 MolecularWeight: 310.35218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=C(C(=N1)NCC2CCCO2)[N+](=O)[O-])N

Isomeric SMILES

CC(C)CNC1=NC(=C(C(=N1)NC[C@H]2CCCO2)[N+](=O)[O-])N

InChI

InChI=1S/C13H22N6O3/c1-8(2)6-16-13-17-11(14)10(19(20)21)12(18-13)15-7-9-4-3-5-22-9/h8-9H,3-7H2,1-2H3,(H4,14,15,16,17,18)/t9-/m1/s1