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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-6-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-6-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-6-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-keto-6-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(C)(C)C)C(=O)N1CCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC2=C(C=NN2C(C)(C)C)C(=O)N1CCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N5O4/c1-12-22-18-14(10-21-25(18)20(2,3)4)19(27)24(12)8-7-17(26)23-13-5-6-15-16(9-13)29-11-28-15/h5-6,9-10H,7-8,11H2,1-4H3,(H,23,26)