1-(5-methyl-5-oxidanyl-hexyl)-3,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-(5-methyl-5-oxidanyl-hexyl)-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-1-(5-hydroxy-5-methyl-hexyl)purine-2,6-dione CAS Name: 1-(5-hydroxy-5-methylhexyl)-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-(5-hydroxy-5-methylhexyl)purine-2,6-dione Traditional Name: 3,7-dibenzyl-1-(5-hydroxy-5-methyl-hexyl)xanthine Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)CC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(CCCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)CC4=CC=CC=C4)O

InChI

InChI=1S/C26H30N4O3/c1-26(2,33)15-9-10-16-29-24(31)22-23(27-19-28(22)17-20-11-5-3-6-12-20)30(25(29)32)18-21-13-7-4-8-14-21/h3-8,11-14,19,33H,9-10,15-18H2,1-2H3