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

Systemtic Name: 8-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[(2Z)-2-[(4-ethoxyphenyl)methylene]hydrazino]-3-methyl-purine-2,6-dione CAS Name: 8-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-[(N'Z)-N'-(4-ethoxybenzylidene)hydrazino]-3-methyl-xanthine Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=NNC2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=N\NC2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C22H22N6O3/c1-3-31-17-11-9-15(10-12-17)13-23-26-21-24-19-18(20(29)25-22(30)27(19)2)28(21)14-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3,(H,24,26)(H,25,29,30)/b23-13-