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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C19H21N5O4 MolecularWeight: 383.40114

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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=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N5O4/c1-19(2,3)24-17-13(9-21-24)18(26)23(10-20-17)7-6-16(25)22-12-4-5-14-15(8-12)28-11-27-14/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,25)