8-(cyclohexylamino)-7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-xanthine Formula: C22H29N5O5 MolecularWeight: 443.49616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC(COC4=CC=C(C=C4)OC)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC(COC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C22H29N5O5/c1-26-19-18(20(29)25-22(26)30)27(21(24-19)23-14-6-4-3-5-7-14)12-15(28)13-32-17-10-8-16(31-2)9-11-17/h8-11,14-15,28H,3-7,12-13H2,1-2H3,(H,23,24)(H,25,29,30)