1,3-dimethyl-7-[2-methyl-2-[(2-oxidanyl-3-phenoxy-propyl)amino]butyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-methyl-2-[(2-oxidanyl-3-phenoxy-propyl)amino]butyl]purine-2,6-dione Openeye Name: 7-[2-[(2-hydroxy-3-phenoxy-propyl)amino]-2-methyl-butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylbutyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylbutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[(2-hydroxy-3-phenoxy-propyl)amino]-2-methyl-butyl]-1,3-dimethyl-xanthine Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)NCC(COC3=CC=CC=C3)O

Isomeric SMILES

CCC(C)(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)NCC(COC3=CC=CC=C3)O

InChI

InChI=1S/C21H29N5O4/c1-5-21(2,23-11-15(27)12-30-16-9-7-6-8-10-16)13-26-14-22-18-17(26)19(28)25(4)20(29)24(18)3/h6-10,14-15,23,27H,5,11-13H2,1-4H3