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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)NCC3CCCO3)[N+](=O)[O-])N

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)NC[C@H]3CCCO3)[N+](=O)[O-])N

InChI

InChI=1S/C16H20N6O3/c1-21(11-6-3-2-4-7-11)16-19-14(17)13(22(23)24)15(20-16)18-10-12-8-5-9-25-12/h2-4,6-7,12H,5,8-10H2,1H3,(H3,17,18,19,20)/t12-/m1/s1