3,8-dimethyl-1-(5-oxidanylhexyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3,8-dimethyl-1-(5-oxidanylhexyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1-(5-hydroxyhexyl)-3,8-dimethyl-purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-3,8-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1-(5-hydroxyhexyl)-3,8-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-1-(5-hydroxyhexyl)-3,8-dimethyl-xanthine Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CCCCC(C)O

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CCCCC(C)O

InChI

InChI=1S/C20H26N4O3/c1-14(25)9-7-8-12-23-19(26)17-18(22(3)20(23)27)21-15(2)24(17)13-16-10-5-4-6-11-16/h4-6,10-11,14,25H,7-9,12-13H2,1-3H3