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

Systemtic Name: 2-[6-azanyl-4-(furan-2-yl)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]ethanamide Openeye Name: 2-[6-amino-1-benzyl-4-(2-furyl)pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]acetamide CAS Name: 2-[6-amino-4-(2-furanyl)-1-(phenylmethyl)-1-pyrazolo[3,4-d]pyrimidin-1-iumyl]acetamide IUPAC Name: 2-[6-amino-1-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]acetamide Traditional Name: 2-[6-amino-1-benzyl-4-(2-furyl)pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]acetamide Formula: C18H17N6O2+ MolecularWeight: 349.36658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6O2/c19-15(25)11-24(10-12-5-2-1-3-6-12)17-13(9-21-24)16(22-18(20)23-17)14-7-4-8-26-14/h1-9H,10-11H2,(H3-,19,20,21,22,23,25)/p+1