6-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one

Systemtic Name: 6-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one Openeye Name: 6-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one CAS Name: 6-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1,3-benzoxathiol-2-one IUPAC Name: 6-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one Traditional Name: 6-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one Formula: C18H9ClN4O3S MolecularWeight: 396.80706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C3=C(C=N2)C(=NC=N3)OC4=CC5=C(C=C4)SC(=O)O5)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C3=C(C=N2)C(=NC=N3)OC4=CC5=C(C=C4)SC(=O)O5)Cl

InChI

InChI=1S/C18H9ClN4O3S/c19-10-1-3-11(4-2-10)23-16-13(8-22-23)17(21-9-20-16)25-12-5-6-15-14(7-12)26-18(24)27-15/h1-9H