5-(2-oxidanylidenepropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(2-oxidanylidenepropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-acetonyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(2-oxopropyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-(2-oxopropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-acetonyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H12N4O2 MolecularWeight: 268.27068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3

Isomeric SMILES

CC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3

InChI

InChI=1S/C14H12N4O2/c1-10(19)8-17-9-15-13-12(14(17)20)7-16-18(13)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3