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

Systemtic Name: 6-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one Openeye Name: 6-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one CAS Name: 6-[[1-(3,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1,3-benzoxathiol-2-one IUPAC Name: 6-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one Traditional Name: 6-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one Formula: C20H14N4O3S MolecularWeight: 390.41516

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H14N4O3S/c1-11-3-4-13(7-12(11)2)24-18-15(9-23-24)19(22-10-21-18)26-14-5-6-17-16(8-14)27-20(25)28-17/h3-10H,1-2H3