6-[2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]-4H-1,4-benzoxazin-3-one Formula: C21H15N5O4 MolecularWeight: 401.3749

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H15N5O4/c27-17(13-6-7-18-16(8-13)24-19(28)11-30-18)10-25-12-22-20-15(21(25)29)9-23-26(20)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,24,28)