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

Systemtic Name: 6-[1-(3-chloranyl-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one Openeye Name: 6-[1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one CAS Name: 6-[[1-(3-chloro-4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1,3-benzoxathiol-2-one IUPAC Name: 6-[1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one Traditional Name: 6-[1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one Formula: C19H11ClN4O3S MolecularWeight: 410.83364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4=CC5=C(C=C4)SC(=O)O5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4=CC5=C(C=C4)SC(=O)O5)Cl

InChI

InChI=1S/C19H11ClN4O3S/c1-10-2-3-11(6-14(10)20)24-17-13(8-23-24)18(22-9-21-17)26-12-4-5-16-15(7-12)27-19(25)28-16/h2-9H,1H3