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

Systemtic Name: 7-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-phenyl-purine-2,6-dione Openeye Name: 7-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-phenyl-purine-2,6-dione CAS Name: 7-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-phenylpurine-2,6-dione IUPAC Name: 7-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-phenylpurine-2,6-dione Traditional Name: 7-(3-chlorobenzyl)-1-(2-methoxyethyl)-3-phenyl-xanthine Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(N=CN2CC3=CC(=CC=C3)Cl)N(C1=O)C4=CC=CC=C4

Isomeric SMILES

COCCN1C(=O)C2=C(N=CN2CC3=CC(=CC=C3)Cl)N(C1=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19ClN4O3/c1-29-11-10-25-20(27)18-19(26(21(25)28)17-8-3-2-4-9-17)23-14-24(18)13-15-6-5-7-16(22)12-15/h2-9,12,14H,10-11,13H2,1H3