7-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-(3-methoxyphenyl)purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-(3-methoxyphenyl)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-(3-methoxyphenyl)purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-(3-methoxyphenyl)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-(3-methoxyphenyl)purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)xanthine Formula: C22H21ClN4O4 MolecularWeight: 440.87954

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3Cl)N(C1=O)C4=CC(=CC=C4)OC

Isomeric SMILES

COCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3Cl)N(C1=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C22H21ClN4O4/c1-30-11-10-26-21(28)19-20(24-14-25(19)13-15-6-3-4-9-18(15)23)27(22(26)29)16-7-5-8-17(12-16)31-2/h3-9,12,14H,10-11,13H2,1-2H3