7-butyl-1-(2-oxidanyl-3-phenoxy-propyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-butyl-1-(2-oxidanyl-3-phenoxy-propyl)-3-propyl-purine-2,6-dione Openeye Name: 7-butyl-1-(2-hydroxy-3-phenoxy-propyl)-3-propyl-purine-2,6-dione CAS Name: 7-butyl-1-(2-hydroxy-3-phenoxypropyl)-3-propylpurine-2,6-dione IUPAC Name: 7-butyl-1-(2-hydroxy-3-phenoxypropyl)-3-propylpurine-2,6-dione Traditional Name: 7-butyl-1-(2-hydroxy-3-phenoxy-propyl)-3-propyl-xanthine Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(COC3=CC=CC=C3)O

InChI

InChI=1S/C21H28N4O4/c1-3-5-12-23-15-22-19-18(23)20(27)25(21(28)24(19)11-4-2)13-16(26)14-29-17-9-7-6-8-10-17/h6-10,15-16,26H,3-5,11-14H2,1-2H3