5-nitro-N4-[[(2R)-oxolan-2-yl]methyl]-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-[[(2R)-oxolan-2-yl]methyl]-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidine-4,6-diamine Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-N4-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-[[(2R)-2-oxolanyl]methyl]-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrimidine-4,6-diamine IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C20H28N7O3+ MolecularWeight: 414.48142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](OC1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H27N7O3/c21-18-17(27(28)29)19(22-13-16-7-4-12-30-16)24-20(23-18)26-10-8-25(9-11-26)14-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H3,21,22,23,24)/p+1/t16-/m1/s1