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

Systemtic Name: 6-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one Openeye Name: 6-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one CAS Name: 6-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1,3-benzoxathiol-2-one IUPAC Name: 6-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one Traditional Name: 6-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one Formula: C19H12N4O3S MolecularWeight: 376.38858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12N4O3S/c1-11-2-4-12(5-3-11)23-17-14(9-22-23)18(21-10-20-17)25-13-6-7-16-15(8-13)26-19(24)27-16/h2-10H,1H3