3-methyl-7-(2-phenoxyethyl)-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-phenoxyethyl)-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 3-methyl-7-(2-phenoxyethyl)-8-[(2E)-2-(1-phenylethylidene)hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-(2-phenoxyethyl)-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 3-methyl-7-(2-phenoxyethyl)-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 3-methyl-7-(2-phenoxyethyl)-8-[(N'E)-N'-(1-phenylethylidene)hydrazino]xanthine Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

C/C(=N\NC1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C)/C4=CC=CC=C4

InChI

InChI=1S/C22H22N6O3/c1-15(16-9-5-3-6-10-16)25-26-21-23-19-18(20(29)24-22(30)27(19)2)28(21)13-14-31-17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3,(H,23,26)(H,24,29,30)/b25-15+