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

Systemtic Name: dimethyl 4-azanyl-1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate Openeye Name: dimethyl 4-amino-1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate CAS Name: 4-amino-1-(1,3-benzothiazol-2-yl)-3-(methylthio)pyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-amino-1-(1,3-benzothiazol-2-yl)-3-methylsulfanylpyrazolo[3,4-b]pyridine-5,6-dicarboxylate Traditional Name: 4-amino-1-(1,3-benzothiazol-2-yl)-3-(methylthio)pyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester Formula: C18H15N5O4S2 MolecularWeight: 429.4728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C2C(=C1N)C(=NN2C3=NC4=CC=CC=C4S3)SC)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N=C2C(=C1N)C(=NN2C3=NC4=CC=CC=C4S3)SC)C(=O)OC

InChI

InChI=1S/C18H15N5O4S2/c1-26-16(24)10-12(19)11-14(21-13(10)17(25)27-2)23(22-15(11)28-3)18-20-8-6-4-5-7-9(8)29-18/h4-7H,1-3H3,(H2,19,21)