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

Systemtic Name: 6-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]-4H-1,4-benzoxazin-3-one Formula: C16H13N5O4 MolecularWeight: 339.30552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C16H13N5O4/c1-20-15-10(5-18-20)16(24)21(8-17-15)6-12(22)9-2-3-13-11(4-9)19-14(23)7-25-13/h2-5,8H,6-7H2,1H3,(H,19,23)