1,3-dimethyl-7-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-dimethyl-xanthine Formula: C17H15N5O5 MolecularWeight: 369.3315

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C17H15N5O5/c1-20-15-14(16(25)21(2)17(20)26)22(8-18-15)6-11(23)9-3-4-12-10(5-9)19-13(24)7-27-12/h3-5,8H,6-7H2,1-2H3,(H,19,24)