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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-dimethyl-xanthine Formula: C17H14ClN5O5 MolecularWeight: 403.77656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN5O5/c1-21-14-13(15(26)22(2)17(21)27)23(16(18)20-14)6-10(24)8-3-4-11-9(5-8)19-12(25)7-28-11/h3-5H,6-7H2,1-2H3,(H,19,25)