2-[6-azanyl-4-(furan-2-yl)-1-phenethyl-pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[6-azanyl-4-(furan-2-yl)-1-phenethyl-pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]ethanamide Openeye Name: 2-[6-amino-4-(2-furyl)-1-phenethyl-pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]acetamide CAS Name: 2-[6-amino-4-(2-furanyl)-1-phenethyl-1-pyrazolo[3,4-d]pyrimidin-1-iumyl]acetamide IUPAC Name: 2-[6-amino-4-(furan-2-yl)-1-phenethylpyrazolo[3,4-d]pyrimidin-1-ium-1-yl]acetamide Traditional Name: 2-[6-amino-4-(2-furyl)-1-phenethyl-pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]acetamide Formula: C19H19N6O2+ MolecularWeight: 363.39316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[N+]2(C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)CC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC[N+]2(C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)CC(=O)N

InChI

InChI=1S/C19H18N6O2/c20-16(26)12-25(9-8-13-5-2-1-3-6-13)18-14(11-22-25)17(23-19(21)24-18)15-7-4-10-27-15/h1-7,10-11H,8-9,12H2,(H3-,20,21,22,23,24,26)/p+1