3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2,4-dimethoxyphenyl)propanamide

Systemtic Name: 3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2,4-dimethoxyphenyl)propanamide Openeye Name: 3-(1-tert-butyl-6-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2,4-dimethoxyphenyl)propanamide CAS Name: 3-(1-tert-butyl-6-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-(2,4-dimethoxyphenyl)propanamide IUPAC Name: 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(2,4-dimethoxyphenyl)propanamide Traditional Name: 3-(1-tert-butyl-4-keto-6-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2,4-dimethoxyphenyl)propionamide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(C)(C)C)C(=O)N1CCC(=O)NC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC1=NC2=C(C=NN2C(C)(C)C)C(=O)N1CCC(=O)NC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H27N5O4/c1-13-23-19-15(12-22-26(19)21(2,3)4)20(28)25(13)10-9-18(27)24-16-8-7-14(29-5)11-17(16)30-6/h7-8,11-12H,9-10H2,1-6H3,(H,24,27)