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

Systemtic Name: 3-(2-chlorophenyl)-7-(2-phenoxyethyl)-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-3-(2-chlorophenyl)-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 3-(2-chlorophenyl)-7-(2-phenoxyethyl)-1-prop-2-enylpurine-2,6-dione IUPAC Name: 3-(2-chlorophenyl)-7-(2-phenoxyethyl)-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-3-(2-chlorophenyl)-7-(2-phenoxyethyl)xanthine Formula: C22H19ClN4O3 MolecularWeight: 422.86426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O3/c1-2-12-26-21(28)19-20(27(22(26)29)18-11-7-6-10-17(18)23)24-15-25(19)13-14-30-16-8-4-3-5-9-16/h2-11,15H,1,12-14H2