8-(furan-2-ylmethylamino)-3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione

Systemtic Name: 8-(furan-2-ylmethylamino)-3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione Openeye Name: 8-(2-furylmethylamino)-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(furan-2-ylmethylamino)-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(2-furfurylamino)-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-xanthine Formula: C17H23N5O5 MolecularWeight: 377.39502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(C)OCC(CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C17H23N5O5/c1-10(2)27-9-11(23)8-22-13-14(21(3)17(25)20-15(13)24)19-16(22)18-7-12-5-4-6-26-12/h4-6,10-11,23H,7-9H2,1-3H3,(H,18,19)(H,20,24,25)