methyl 5-methyl-2-[2-(3-methyl-4-phenyl-pyrazolo[3,4-b]pyridin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[2-(3-methyl-4-phenyl-pyrazolo[3,4-b]pyridin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[2-(3-methyl-4-phenyl-pyrazolo[3,4-b]pyridin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-(3-methyl-4-phenyl-1-pyrazolo[3,4-b]pyridinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-(3-methyl-4-phenyl-pyrazolo[3,4-b]pyridin-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CN2C3=NC=CC(=C3C(=N2)C)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CN2C3=NC=CC(=C3C(=N2)C)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H20N4O3S/c1-13-11-17(22(28)29-3)21(30-13)24-18(27)12-26-20-19(14(2)25-26)16(9-10-23-20)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,24,27)