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

Systemtic Name: 8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[(2E)-2-[(4-methoxyphenyl)methylene]hydrazino]-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-[(N'E)-N'-p-anisylidenehydrazino]xanthine Formula: C21H20N6O3 MolecularWeight: 404.4219

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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)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N6O3/c1-26-18-17(19(28)24-21(26)29)27(13-15-6-4-3-5-7-15)20(23-18)25-22-12-14-8-10-16(30-2)11-9-14/h3-12H,13H2,1-2H3,(H,23,25)(H,24,28,29)/b22-12+