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

Systemtic Name: 3-(2-chlorophenyl)-1-(2-methoxyethyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-(2-chlorophenyl)-1-(2-methoxyethyl)purine-2,6-dione CAS Name: 3-(2-chlorophenyl)-1-(2-methoxyethyl)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-(2-chlorophenyl)-1-(2-methoxyethyl)-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-(2-chlorophenyl)-1-(2-methoxyethyl)xanthine Formula: C17H17ClN4O3 MolecularWeight: 360.79488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(N=CN2CC=C)N(C1=O)C3=CC=CC=C3Cl

Isomeric SMILES

COCCN1C(=O)C2=C(N=CN2CC=C)N(C1=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C17H17ClN4O3/c1-3-8-20-11-19-15-14(20)16(23)21(9-10-25-2)17(24)22(15)13-7-5-4-6-12(13)18/h3-7,11H,1,8-10H2,2H3