methyl 1-ethyl-5-[(3-methyl-3-oxidanyl-butan-2-yl)amino]-3-(oxolan-3-ylcarbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 1-ethyl-5-[(3-methyl-3-oxidanyl-butan-2-yl)amino]-3-(oxolan-3-ylcarbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 1-ethyl-5-[(2-hydroxy-1,2-dimethyl-propyl)amino]-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 1-ethyl-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-3-[[oxo(3-oxolanyl)methyl]amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-ethyl-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-3-(oxolane-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 1-ethyl-5-[(2-hydroxy-1,2-dimethyl-propyl)amino]-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC(=CN=C21)NC(C)C(C)(C)O)NC(=O)C3CCOC3)C(=O)OC

Isomeric SMILES

CCN1C(=C(C2=CC(=CN=C21)NC(C)C(C)(C)O)NC(=O)C3CCOC3)C(=O)OC

InChI

InChI=1S/C21H30N4O5/c1-6-25-17(20(27)29-5)16(24-19(26)13-7-8-30-11-13)15-9-14(10-22-18(15)25)23-12(2)21(3,4)28/h9-10,12-13,23,28H,6-8,11H2,1-5H3,(H,24,26)