1-[(4-chlorophenyl)methyl]-7-ethyl-3-methyl-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-7-ethyl-3-methyl-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-7-ethyl-3-methyl-8-morpholino-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-7-ethyl-3-methyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-7-ethyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-7-ethyl-3-methyl-8-morpholino-xanthine Formula: C19H22ClN5O3 MolecularWeight: 403.86268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CCOCC3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCN1C2=C(N=C1N3CCOCC3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C19H22ClN5O3/c1-3-24-15-16(21-18(24)23-8-10-28-11-9-23)22(2)19(27)25(17(15)26)12-13-4-6-14(20)7-5-13/h4-7H,3,8-12H2,1-2H3