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

Systemtic Name: 3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-butylphenyl)propanamide Openeye Name: 3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-butylphenyl)propanamide CAS Name: 3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-(4-butylphenyl)propanamide IUPAC Name: 3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-butylphenyl)propanamide Traditional Name: 3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-butylphenyl)propionamide Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C(C)(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C(C)(C)C

InChI

InChI=1S/C22H29N5O2/c1-5-6-7-16-8-10-17(11-9-16)25-19(28)12-13-26-15-23-20-18(21(26)29)14-24-27(20)22(2,3)4/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,25,28)