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

Systemtic Name: 5-[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(5-methyl-2-thienyl)-2-oxo-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(5-methyl-2-thiophenyl)-2-oxoethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-keto-2-(5-methyl-2-thienyl)ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H14N4O2S MolecularWeight: 350.39436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(S1)C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H14N4O2S/c1-12-7-8-16(25-12)15(23)10-21-11-19-17-14(18(21)24)9-20-22(17)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3