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

Systemtic Name: 7-[(2R)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-8-(2-dimethylaminoethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(2-dimethylaminoethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(2-dimethylaminoethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(2-dimethylaminoethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(2-dimethylaminoethylamino)-3-methyl-xanthine Formula: C19H25ClN6O4 MolecularWeight: 436.8926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN6O4/c1-24(2)9-8-21-18-22-16-15(17(28)23-19(29)25(16)3)26(18)10-13(27)11-30-14-6-4-12(20)5-7-14/h4-7,13,27H,8-11H2,1-3H3,(H,21,22)(H,23,28,29)/t13-/m1/s1