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

Systemtic Name: 5-[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(2,5-diethylphenyl)-2-oxo-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(2,5-diethylphenyl)-2-oxoethyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(2,5-diethylphenyl)-2-oxoethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-(2,5-diethylphenyl)-2-keto-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)CN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)CN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C18H20N4O2/c1-4-12-6-7-13(5-2)14(8-12)16(23)10-22-11-19-17-15(18(22)24)9-20-21(17)3/h6-9,11H,4-5,10H2,1-3H3