methyl 3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C19H19N7O5 MolecularWeight: 425.39806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H19N7O5/c1-23-16-15(10-22-23)17(21-11-20-16)24-3-5-25(6-4-24)18(27)12-7-13(19(28)31-2)9-14(8-12)26(29)30/h7-11H,3-6H2,1-2H3