7-[4-[(3-azanylidene-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-7-yl)oxy]butyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[4-[(3-azanylidene-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-7-yl)oxy]butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-[(4-hydroxy-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-7-yl)oxy]butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-[(4-hydroxy-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-7-yl)oxy]butyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-[(4-hydroxy-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-7-yl)oxy]butyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-[(4-hydroxy-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-7-yl)oxy]butyl]-1,3-dimethyl-xanthine Formula: C18H20N8O5 MolecularWeight: 428.402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCOC3=CC4=C(C=C3)N(C(=N)N=[N+]4[O-])O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCOC3=CC4=C(C=C3)N(C(=N)N=[N+]4[O-])O

InChI

InChI=1S/C18H20N8O5/c1-22-15-14(16(27)23(2)18(22)28)24(10-20-15)7-3-4-8-31-11-5-6-12-13(9-11)26(30)21-17(19)25(12)29/h5-6,9-10,19,29H,3-4,7-8H2,1-2H3