1,3-dimethyl-7-[2-[(6-methyl-6-oxidanyl-heptan-2-yl)-phenethyl-amino]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[(6-methyl-6-oxidanyl-heptan-2-yl)-phenethyl-amino]ethyl]purine-2,6-dione Openeye Name: 7-[2-[(5-hydroxy-1,5-dimethyl-hexyl)-phenethyl-amino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[(6-hydroxy-6-methylheptan-2-yl)-phenethylamino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[(6-hydroxy-6-methylheptan-2-yl)-phenethylamino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[(5-hydroxy-1,5-dimethyl-hexyl)-phenethyl-amino]ethyl]-1,3-dimethyl-xanthine Formula: C25H37N5O3 MolecularWeight: 455.59298

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)N(CCC1=CC=CC=C1)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(CCCC(C)(C)O)N(CCC1=CC=CC=C1)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C25H37N5O3/c1-19(10-9-14-25(2,3)33)29(15-13-20-11-7-6-8-12-20)16-17-30-18-26-22-21(30)23(31)28(5)24(32)27(22)4/h6-8,11-12,18-19,33H,9-10,13-17H2,1-5H3