8-(hexylamino)-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name: 8-(hexylamino)-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 8-(hexylamino)-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-(hexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(hexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(hexylamino)-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-xanthine Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCNC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C

InChI

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