2-[[1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoic acid

Systemtic Name: 2-[[1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoic acid Openeye Name: 2-[[1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]acetic acid CAS Name: 2-[[1-methyl-3-(1-methyl-5-nitro-2-imidazolyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]acetic acid IUPAC Name: 2-[[1-methyl-3-(1-methyl-5-nitroimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]acetic acid Traditional Name: 2-[[1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]acetic acid Formula: C12H12N8O4 MolecularWeight: 332.27488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NN(C3=C2C(=NC=N3)NCC(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C2=NN(C3=C2C(=NC=N3)NCC(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H12N8O4/c1-18-6(20(23)24)3-14-12(18)9-8-10(13-4-7(21)22)15-5-16-11(8)19(2)17-9/h3,5H,4H2,1-2H3,(H,21,22)(H,13,15,16)