1,3-dimethyl-7-[3-[[2-(5-methyl-2-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]butyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-[[2-(5-methyl-2-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]butyl]purine-2,6-dione Openeye Name: 7-[3-[[2-hydroxy-2-(2-hydroxy-5-methyl-phenyl)ethyl]amino]butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[[2-hydroxy-2-(2-hydroxy-5-methylphenyl)ethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[[2-hydroxy-2-(2-hydroxy-5-methylphenyl)ethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[[2-hydroxy-2-(2-hydroxy-5-methyl-phenyl)ethyl]amino]butyl]-1,3-dimethyl-xanthine Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(CNC(C)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(CNC(C)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

InChI

InChI=1S/C20H27N5O4/c1-12-5-6-15(26)14(9-12)16(27)10-21-13(2)7-8-25-11-22-18-17(25)19(28)24(4)20(29)23(18)3/h5-6,9,11,13,16,21,26-27H,7-8,10H2,1-4H3