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

Systemtic Name: 3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)propanamide Openeye Name: 3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)propanamide CAS Name: 3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-(3,4-dimethoxyphenyl)propanamide IUPAC Name: 3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)propanamide Traditional Name: 3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)propionamide Formula: C20H25N5O4 MolecularWeight: 399.4436

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-20(2,3)25-18-14(11-22-25)19(27)24(12-21-18)9-8-17(26)23-13-6-7-15(28-4)16(10-13)29-5/h6-7,10-12H,8-9H2,1-5H3,(H,23,26)