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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-morpholino-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-3-methyl-8-morpholino-xanthine Formula: C17H18ClN5O3 MolecularWeight: 375.80952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H18ClN5O3/c1-21-14-13(15(24)20-17(21)25)23(10-11-2-4-12(18)5-3-11)16(19-14)22-6-8-26-9-7-22/h2-5H,6-10H2,1H3,(H,20,24,25)