8-azanyl-1,3-bis(cyclopropylmethyl)-7-[3-(trifluoromethyl)phenyl]sulfonyl-purine-2,6-dione

Systemtic Name: 8-azanyl-1,3-bis(cyclopropylmethyl)-7-[3-(trifluoromethyl)phenyl]sulfonyl-purine-2,6-dione Openeye Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-[3-(trifluoromethyl)phenyl]sulfonyl-purine-2,6-dione CAS Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-[3-(trifluoromethyl)phenyl]sulfonylpurine-2,6-dione IUPAC Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-[3-(trifluoromethyl)phenyl]sulfonylpurine-2,6-dione Traditional Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-[3-(trifluoromethyl)phenyl]sulfonyl-xanthine Formula: C20H20F3N5O4S MolecularWeight: 483.46411

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)N(C(=N3)N)S(=O)(=O)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)N(C(=N3)N)S(=O)(=O)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C20H20F3N5O4S/c21-20(22,23)13-2-1-3-14(8-13)33(31,32)28-15-16(25-18(28)24)26(9-11-4-5-11)19(30)27(17(15)29)10-12-6-7-12/h1-3,8,11-12H,4-7,9-10H2,(H2,24,25)