8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(4-methoxyphenyl)methylene]hydrazino]-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 3-methyl-8-[(N'E)-N'-p-anisylidenehydrazino]-7-phenethyl-xanthine Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=C(C=C3)OC)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)OC)CCC4=CC=CC=C4

InChI

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