3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-octyl-propanamide

Systemtic Name: 3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-octyl-propanamide Openeye Name: 3-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-octyl-propanamide CAS Name: 3-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-N-octylpropanamide IUPAC Name: 3-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)-N-octylpropanamide Traditional Name: 3-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-octyl-propionamide Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)CCN1C(=NC2=C(C1=O)C=NN2C3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCCNC(=O)CCN1C(=NC2=C(C1=O)C=NN2C3=CC=CC=C3)C

InChI

InChI=1S/C23H31N5O2/c1-3-4-5-6-7-11-15-24-21(29)14-16-27-18(2)26-22-20(23(27)30)17-25-28(22)19-12-9-8-10-13-19/h8-10,12-13,17H,3-7,11,14-16H2,1-2H3,(H,24,29)