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

Systemtic Name: 7-[(2R)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(3-hydroxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(3-hydroxypropylamino)-3-methyl-xanthine Formula: C18H22ClN5O5 MolecularWeight: 423.85078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCO)CC(COC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCO)C[C@H](COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C18H22ClN5O5/c1-23-15-14(16(27)22-18(23)28)24(17(21-15)20-7-2-8-25)9-12(26)10-29-13-5-3-11(19)4-6-13/h3-6,12,25-26H,2,7-10H2,1H3,(H,20,21)(H,22,27,28)/t12-/m1/s1