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

Systemtic Name: 3-(2-methoxyphenyl)-1-(2-methylpropyl)-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 1-isobutyl-3-(2-methoxyphenyl)-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 3-(2-methoxyphenyl)-1-(2-methylpropyl)-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 3-(2-methoxyphenyl)-1-(2-methylpropyl)-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 1-isobutyl-3-(2-methoxyphenyl)-7-(2-phenoxyethyl)xanthine Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(N=CN2CCOC3=CC=CC=C3)N(C1=O)C4=CC=CC=C4OC

Isomeric SMILES

CC(C)CN1C(=O)C2=C(N=CN2CCOC3=CC=CC=C3)N(C1=O)C4=CC=CC=C4OC

InChI

InChI=1S/C24H26N4O4/c1-17(2)15-27-23(29)21-22(28(24(27)30)19-11-7-8-12-20(19)31-3)25-16-26(21)13-14-32-18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3