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

Systemtic Name: 3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-pentyl-propanamide Openeye Name: 3-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-pentyl-propanamide CAS Name: 3-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-N-pentylpropanamide IUPAC Name: 3-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)-N-pentylpropanamide Traditional Name: N-amyl-3-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O2/c1-3-4-8-12-21-18(26)11-13-24-15(2)23-19-17(20(24)27)14-22-25(19)16-9-6-5-7-10-16/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3,(H,21,26)