7-[(2R)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-8-(furan-2-ylmethylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(2R)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-8-(furan-2-ylmethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(2-furylmethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(2-furanylmethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(furan-2-ylmethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(2-furfurylamino)-3-methyl-xanthine Formula: C20H20ClN5O5 MolecularWeight: 445.8563

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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=C(C=C4)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O5/c1-25-17-16(18(28)24-20(25)29)26(19(23-17)22-9-15-3-2-8-30-15)10-13(27)11-31-14-6-4-12(21)5-7-14/h2-8,13,27H,9-11H2,1H3,(H,22,23)(H,24,28,29)/t13-/m1/s1