3,7-dimethyl-1-[5-oxidanyl-6-[(phenylmethyl)amino]hexyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[5-oxidanyl-6-[(phenylmethyl)amino]hexyl]purine-2,6-dione Openeye Name: 1-[6-(benzylamino)-5-hydroxy-hexyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[5-hydroxy-6-[(phenylmethyl)amino]hexyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[6-(benzylamino)-5-hydroxyhexyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[6-(benzylamino)-5-hydroxy-hexyl]-3,7-dimethyl-xanthine Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(CNCC3=CC=CC=C3)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(CNCC3=CC=CC=C3)O

InChI

InChI=1S/C20H27N5O3/c1-23-14-22-18-17(23)19(27)25(20(28)24(18)2)11-7-6-10-16(26)13-21-12-15-8-4-3-5-9-15/h3-5,8-9,14,16,21,26H,6-7,10-13H2,1-2H3