8-(furan-2-ylmethylamino)-3-methyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione

Systemtic Name: 8-(furan-2-ylmethylamino)-3-methyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 8-(2-furylmethylamino)-7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(furan-2-ylmethylamino)-7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-furfurylamino)-7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-xanthine Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)C[C@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C20H21N5O5/c1-24-17-16(18(27)23-20(24)28)25(19(22-17)21-10-15-8-5-9-29-15)11-13(26)12-30-14-6-3-2-4-7-14/h2-9,13,26H,10-12H2,1H3,(H,21,22)(H,23,27,28)/t13-/m1/s1