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

Systemtic Name: 3-(3-chlorophenyl)-1-(2-methylpropyl)-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 3-(3-chlorophenyl)-1-isobutyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 3-(3-chlorophenyl)-1-(2-methylpropyl)-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 3-(3-chlorophenyl)-1-(2-methylpropyl)-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 3-(3-chlorophenyl)-1-isobutyl-7-(2-phenoxyethyl)xanthine Formula: C23H23ClN4O3 MolecularWeight: 438.90672

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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=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN4O3/c1-16(2)14-27-22(29)20-21(28(23(27)30)18-8-6-7-17(24)13-18)25-15-26(20)11-12-31-19-9-4-3-5-10-19/h3-10,13,15-16H,11-12,14H2,1-2H3