7-[(4-chlorophenyl)methyl]-1,9-dimethyl-2-morpholin-4-yl-purine-6,8-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1,9-dimethyl-2-morpholin-4-yl-purine-6,8-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-1,9-dimethyl-2-morpholino-purine-6,8-dione CAS Name: 7-[(4-chlorophenyl)methyl]-1,9-dimethyl-2-(4-morpholinyl)purine-6,8-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-1,9-dimethyl-2-morpholin-4-ylpurine-6,8-dione Traditional Name: 7-(4-chlorobenzyl)-1,9-dimethyl-2-morpholino-purine-6,8-quinone Formula: C18H20ClN5O3 MolecularWeight: 389.8361

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=N2)N3CCOCC3)C)N(C1=O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C(=N2)N3CCOCC3)C)N(C1=O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H20ClN5O3/c1-21-15-14(24(18(21)26)11-12-3-5-13(19)6-4-12)16(25)22(2)17(20-15)23-7-9-27-10-8-23/h3-6H,7-11H2,1-2H3