8-bromanyl-1-[3-(tert-butylamino)-2-oxidanyl-propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-1-[3-(tert-butylamino)-2-oxidanyl-propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-1-[3-(tert-butylamino)-2-hydroxy-propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-bromo-1-[3-(tert-butylamino)-2-hydroxypropyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-1-[3-(tert-butylamino)-2-hydroxypropyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-bromo-1-[3-(tert-butylamino)-2-hydroxy-propyl]-3,7-dimethyl-xanthine Formula: C14H22BrN5O3 MolecularWeight: 388.26018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(CN1C(=O)C2=C(N=C(N2C)Br)N(C1=O)C)O

Isomeric SMILES

CC(C)(C)NCC(CN1C(=O)C2=C(N=C(N2C)Br)N(C1=O)C)O

InChI

InChI=1S/C14H22BrN5O3/c1-14(2,3)16-6-8(21)7-20-11(22)9-10(19(5)13(20)23)17-12(15)18(9)4/h8,16,21H,6-7H2,1-5H3