4-methoxy-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 4-methoxy-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-methoxy-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: 4-methoxy-3-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-methoxy-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 4-methoxy-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide Formula: C18H21N7O4S MolecularWeight: 431.46884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)S(=O)(=O)N)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)S(=O)(=O)N)OC

InChI

InChI=1S/C18H21N7O4S/c1-23-16-14(10-22-23)17(21-11-20-16)24-5-7-25(8-6-24)18(26)13-9-12(30(19,27)28)3-4-15(13)29-2/h3-4,9-11H,5-8H2,1-2H3,(H2,19,27,28)