3-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethyl]-1,3-benzoxazol-2-one Formula: C20H15N5O2S MolecularWeight: 389.4304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCN4C5=CC=CC=C5OC4=O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCN4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C20H15N5O2S/c26-20-24(16-8-4-5-9-17(16)27-20)10-11-28-19-15-12-23-25(18(15)21-13-22-19)14-6-2-1-3-7-14/h1-9,12-13H,10-11H2