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

Systemtic Name: 5-[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(5-chloro-2-thienyl)-2-oxo-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(5-chloro-2-thiophenyl)-2-oxoethyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-(5-chloro-2-thienyl)-2-keto-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C12H9ClN4O2S MolecularWeight: 308.74346

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C12H9ClN4O2S/c1-16-11-7(4-15-16)12(19)17(6-14-11)5-8(18)9-2-3-10(13)20-9/h2-4,6H,5H2,1H3