7-butyl-8-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-butyl-8-[(2Z)-2-[(4-ethoxyphenyl)methylene]hydrazino]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-butyl-8-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-butyl-8-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-butyl-8-[(N'Z)-N'-(4-ethoxybenzylidene)hydrazino]-1,3-dimethyl-xanthine Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1NN=CC3=CC=C(C=C3)OCC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1N/N=C\C3=CC=C(C=C3)OCC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H26N6O3/c1-5-7-12-26-16-17(24(3)20(28)25(4)18(16)27)22-19(26)23-21-13-14-8-10-15(11-9-14)29-6-2/h8-11,13H,5-7,12H2,1-4H3,(H,22,23)/b21-13-