3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide

Systemtic Name: 3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: 3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide CAS Name: 3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: 3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: 3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propionamide Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H27N5O5/c1-21(2,3)26-19-14(11-23-26)20(28)25(12-22-19)8-7-17(27)24-13-9-15(29-4)18(31-6)16(10-13)30-5/h9-12H,7-8H2,1-6H3,(H,24,27)