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

Systemtic Name: 3-(2-chlorophenyl)-1-(3-methylbutyl)-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 3-(2-chlorophenyl)-1-isopentyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 3-(2-chlorophenyl)-1-(3-methylbutyl)-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 3-(2-chlorophenyl)-1-(3-methylbutyl)-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 3-(2-chlorophenyl)-1-isoamyl-7-(2-phenoxyethyl)xanthine Formula: C24H25ClN4O3 MolecularWeight: 452.9333

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N=CN2CCOC3=CC=CC=C3)N(C1=O)C4=CC=CC=C4Cl

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N=CN2CCOC3=CC=CC=C3)N(C1=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H25ClN4O3/c1-17(2)12-13-28-23(30)21-22(29(24(28)31)20-11-7-6-10-19(20)25)26-16-27(21)14-15-32-18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3