8-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(3-hydroxyphenyl)methylene]hydrazino]-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-(3-hydroxybenzylidene)hydrazino]-1,3-dimethyl-7-phenethyl-xanthine Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC(=CC=C3)O)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC(=CC=C3)O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H22N6O3/c1-26-19-18(20(30)27(2)22(26)31)28(12-11-15-7-4-3-5-8-15)21(24-19)25-23-14-16-9-6-10-17(29)13-16/h3-10,13-14,29H,11-12H2,1-2H3,(H,24,25)/b23-14+