6-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(5-chloro-1,3-benzoxazol-2-yl)sulfanylmethyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[(5-chloro-1,3-benzoxazol-2-yl)thio]methyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(5-chloro-1,3-benzoxazol-2-yl)sulfanylmethyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[(5-chloro-1,3-benzoxazol-2-yl)thio]methyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H12ClN5O2S MolecularWeight: 409.84888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC4=NC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC4=NC5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C19H12ClN5O2S/c20-11-6-7-15-14(8-11)22-19(27-15)28-10-16-23-17-13(18(26)24-16)9-21-25(17)12-4-2-1-3-5-12/h1-9,21H,10H2