8-azanyl-1,3-bis(cyclopropylmethyl)-7-methylsulfonyl-purine-2,6-dione

Systemtic Name: 8-azanyl-1,3-bis(cyclopropylmethyl)-7-methylsulfonyl-purine-2,6-dione Openeye Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-methylsulfonyl-purine-2,6-dione CAS Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-methylsulfonylpurine-2,6-dione IUPAC Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-methylsulfonylpurine-2,6-dione Traditional Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-mesyl-xanthine Formula: C14H19N5O4S MolecularWeight: 353.39676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C2=C(N=C1N)N(C(=O)N(C2=O)CC3CC3)CC4CC4

Isomeric SMILES

CS(=O)(=O)N1C2=C(N=C1N)N(C(=O)N(C2=O)CC3CC3)CC4CC4

InChI

InChI=1S/C14H19N5O4S/c1-24(22,23)19-10-11(16-13(19)15)17(6-8-2-3-8)14(21)18(12(10)20)7-9-4-5-9/h8-9H,2-7H2,1H3,(H2,15,16)