8-(butylamino)-1,3-dimethyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name: 8-(butylamino)-1,3-dimethyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 8-(butylamino)-7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(butylamino)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(butylamino)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(butylamino)-7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-xanthine Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCNC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H27N5O4/c1-4-5-11-21-19-22-17-16(18(27)24(3)20(28)23(17)2)25(19)12-14(26)13-29-15-9-7-6-8-10-15/h6-10,14,26H,4-5,11-13H2,1-3H3,(H,21,22)