[3,4-diacetyloxy-5-[4-(3-methyl-5-nitro-imidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl ethanoate

Systemtic Name: [3,4-diacetyloxy-5-[4-(3-methyl-5-nitro-imidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-[4-(3-methyl-5-nitro-imidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-[4-[(3-methyl-5-nitro-4-imidazolyl)thio]-1-pyrazolo[3,4-d]pyrimidinyl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-[4-[(3-methyl-5-nitro-imidazol-4-yl)thio]pyrazolo[3,4-d]pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl ester Formula: C20H21N7O9S MolecularWeight: 535.48724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C3=C(C=N2)C(=NC=N3)SC4=C(N=CN4C)[N+](=O)[O-])OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C3=C(C=N2)C(=NC=N3)SC4=C(N=CN4C)[N+](=O)[O-])OC(=O)C)OC(=O)C

InChI

InChI=1S/C20H21N7O9S/c1-9(28)33-6-13-14(34-10(2)29)15(35-11(3)30)19(36-13)26-16-12(5-24-26)18(22-7-21-16)37-20-17(27(31)32)23-8-25(20)4/h5,7-8,13-15,19H,6H2,1-4H3