4-[(2S)-2-(1H-imidazol-3-ium-3-ylmethyl)pyrrolidin-1-yl]-6-methoxy-pyrimidin-2-amine

Systemtic Name: 4-[(2S)-2-(1H-imidazol-3-ium-3-ylmethyl)pyrrolidin-1-yl]-6-methoxy-pyrimidin-2-amine Openeye Name: 4-[(2S)-2-(1H-imidazol-3-ium-3-ylmethyl)pyrrolidin-1-yl]-6-methoxy-pyrimidin-2-amine CAS Name: 4-[(2S)-2-(1H-imidazol-3-ium-3-ylmethyl)-1-pyrrolidinyl]-6-methoxy-2-pyrimidinamine IUPAC Name: 4-[(2S)-2-(1H-imidazol-3-ium-3-ylmethyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine Traditional Name: [4-[(2S)-2-(1H-imidazol-3-ium-3-ylmethyl)pyrrolidino]-6-methoxy-pyrimidin-2-yl]amine Formula: C13H19N6O+ MolecularWeight: 275.32956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)N2CCCC2C[N+]3=CNC=C3)N

Isomeric SMILES

COC1=NC(=NC(=C1)N2CCC[C@H]2C[N+]3=CNC=C3)N

InChI

InChI=1S/C13H18N6O/c1-20-12-7-11(16-13(14)17-12)19-5-2-3-10(19)8-18-6-4-15-9-18/h4,6-7,9-10H,2-3,5,8H2,1H3,(H2,14,16,17)/p+1/t10-/m0/s1