1-ethyl-3-(2-methoxyphenyl)-7-(2-phenoxyethyl)purine-2,6-dione

Systemtic Name: 1-ethyl-3-(2-methoxyphenyl)-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 1-ethyl-3-(2-methoxyphenyl)-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 1-ethyl-3-(2-methoxyphenyl)-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 1-ethyl-3-(2-methoxyphenyl)-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 1-ethyl-3-(2-methoxyphenyl)-7-(2-phenoxyethyl)xanthine Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CCOC3=CC=CC=C3)N(C1=O)C4=CC=CC=C4OC

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CCOC3=CC=CC=C3)N(C1=O)C4=CC=CC=C4OC

InChI

InChI=1S/C22H22N4O4/c1-3-25-21(27)19-20(26(22(25)28)17-11-7-8-12-18(17)29-2)23-15-24(19)13-14-30-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3