3-[1-(3,5-dimethylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]propanamide

Systemtic Name: 3-[1-(3,5-dimethylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]propanamide Openeye Name: 3-[1-(3,5-dimethylphenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]propanamide CAS Name: 3-[1-(3,5-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]propanamide IUPAC Name: 3-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]propanamide Traditional Name: 3-[1-(3,5-dimethylphenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]propionamide Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)N)C

InChI

InChI=1S/C16H17N5O2/c1-10-5-11(2)7-12(6-10)21-15-13(8-19-21)16(23)20(9-18-15)4-3-14(17)22/h5-9H,3-4H2,1-2H3,(H2,17,22)