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

Systemtic Name: 5-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(3-chlorobenzothiophen-2-yl)methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[(3-chlorobenzothiophen-2-yl)methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C15H11ClN4OS MolecularWeight: 330.79204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C15H11ClN4OS/c1-19-14-10(6-18-19)15(21)20(8-17-14)7-12-13(16)9-4-2-3-5-11(9)22-12/h2-6,8H,7H2,1H3