[2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxo-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-[[4-(dimethylamino)benzyl]-methyl-amino]-2-keto-ethyl] ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)OCC(=O)N(C)CC3=CC=C(C=C3)N(C)C)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)OCC(=O)N(C)CC3=CC=C(C=C3)N(C)C)C

InChI

InChI=1S/C21H25N5O3/c1-14-18-10-16(11-22-20(18)26(5)23-14)21(28)29-13-19(27)25(4)12-15-6-8-17(9-7-15)24(2)3/h6-11H,12-13H2,1-5H3