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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N5O4/c1-20(2,3)25-18-14(10-23-25)19(27)24(11-22-18)7-6-17(26)21-9-13-4-5-15-16(8-13)29-12-28-15/h4-5,8,10-11H,6-7,9,12H2,1-3H3,(H,21,26)