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

Systemtic Name: N2-(3-methoxypropyl)-5-nitro-N4-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Openeye Name: N2-(3-methoxypropyl)-5-nitro-N4-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4,6-triamine CAS Name: N2-(3-methoxypropyl)-5-nitro-N4-[[(2R)-2-oxolanyl]methyl]pyrimidine-2,4,6-triamine IUPAC Name: 2-N-(3-methoxypropyl)-5-nitro-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C13H22N6O4 MolecularWeight: 326.35158

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC(=C(C(=N1)NCC2CCCO2)[N+](=O)[O-])N

Isomeric SMILES

COCCCNC1=NC(=C(C(=N1)NC[C@H]2CCCO2)[N+](=O)[O-])N

InChI

InChI=1S/C13H22N6O4/c1-22-6-3-5-15-13-17-11(14)10(19(20)21)12(18-13)16-8-9-4-2-7-23-9/h9H,2-8H2,1H3,(H4,14,15,16,17,18)/t9-/m1/s1