6-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C22H17N5O3S/c1-13(20(29)14-7-8-18-17(9-14)26-19(28)11-30-18)31-22-16-10-25-27(21(16)23-12-24-22)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,26,28)