dimethyl 4-azanyl-3-(1-benzothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate

Systemtic Name: dimethyl 4-azanyl-3-(1-benzothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate Openeye Name: dimethyl 4-amino-3-(benzothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate CAS Name: 4-amino-3-(1-benzothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-amino-3-(1-benzothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate Traditional Name: 4-amino-3-(benzothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester Formula: C18H14N4O4S MolecularWeight: 382.39316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(NN=C2N=C1C(=O)OC)C3=CC4=CC=CC=C4S3)N

Isomeric SMILES

COC(=O)C1=C(C2=C(NN=C2N=C1C(=O)OC)C3=CC4=CC=CC=C4S3)N

InChI

InChI=1S/C18H14N4O4S/c1-25-17(23)12-13(19)11-14(10-7-8-5-3-4-6-9(8)27-10)21-22-16(11)20-15(12)18(24)26-2/h3-7H,1-2H3,(H3,19,20,21,22)