1-[11-(tert-butylamino)-10-oxidanyl-undecyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[11-(tert-butylamino)-10-oxidanyl-undecyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[11-(tert-butylamino)-10-hydroxy-undecyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[11-(tert-butylamino)-10-hydroxyundecyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[11-(tert-butylamino)-10-hydroxyundecyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[11-(tert-butylamino)-10-hydroxy-undecyl]-3,7-dimethyl-xanthine Formula: C22H39N5O3 MolecularWeight: 421.57676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CC(C)(C)NCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C22H39N5O3/c1-22(2,3)24-15-17(28)13-11-9-7-6-8-10-12-14-27-20(29)18-19(23-16-25(18)4)26(5)21(27)30/h16-17,24,28H,6-15H2,1-5H3