5-[(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(5-chlorothiadiazol-4-yl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(5-chloro-4-thiadiazolyl)methyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(5-chlorothiadiazol-4-yl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[(5-chlorothiadiazol-4-yl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H9ClN6OS MolecularWeight: 344.77886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=C(SN=N4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=C(SN=N4)Cl

InChI

InChI=1S/C14H9ClN6OS/c15-12-11(18-19-23-12)7-20-8-16-13-10(14(20)22)6-17-21(13)9-4-2-1-3-5-9/h1-6,8H,7H2