8-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-ethyl-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-ethyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(3,4-dimethoxyphenyl)methylene]hydrazino]-1-ethyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-ethyl-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-ethyl-3,7-dimethylpurine-2,6-dione Traditional Name: 1-ethyl-3,7-dimethyl-8-[(N'E)-N'-veratrylidenehydrazino]xanthine Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)NN=CC3=CC(=C(C=C3)OC)OC)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)N/N=C/C3=CC(=C(C=C3)OC)OC)N(C1=O)C

InChI

InChI=1S/C18H22N6O4/c1-6-24-16(25)14-15(23(3)18(24)26)20-17(22(14)2)21-19-10-11-7-8-12(27-4)13(9-11)28-5/h7-10H,6H2,1-5H3,(H,20,21)/b19-10+