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

Systemtic Name: 5-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(4-butylphenyl)-2-oxo-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(4-butylphenyl)-2-oxoethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(4-butylphenyl)-2-oxoethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-(4-butylphenyl)-2-keto-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2/c1-2-3-7-17-10-12-18(13-11-17)21(28)15-26-16-24-22-20(23(26)29)14-25-27(22)19-8-5-4-6-9-19/h4-6,8-14,16H,2-3,7,15H2,1H3