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

Systemtic Name: 3-(2-chlorophenyl)-1-ethyl-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 3-(2-chlorophenyl)-1-ethyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 3-(2-chlorophenyl)-1-ethyl-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 3-(2-chlorophenyl)-1-ethyl-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 3-(2-chlorophenyl)-1-ethyl-7-(2-phenoxyethyl)xanthine Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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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=C4Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O3/c1-2-25-20(27)18-19(26(21(25)28)17-11-7-6-10-16(17)22)23-14-24(18)12-13-29-15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3