8-chloranyl-1,3-dimethyl-7-[(3-morpholin-4-ylsulfonylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(3-morpholin-4-ylsulfonylphenyl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[(3-morpholinosulfonylphenyl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[[3-(4-morpholinylsulfonyl)phenyl]methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(3-morpholin-4-ylsulfonylphenyl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-(3-morpholinosulfonylbenzyl)xanthine Formula: C18H20ClN5O5S MolecularWeight: 453.8999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C18H20ClN5O5S/c1-21-15-14(16(25)22(2)18(21)26)24(17(19)20-15)11-12-4-3-5-13(10-12)30(27,28)23-6-8-29-9-7-23/h3-5,10H,6-9,11H2,1-2H3