7-[(2-chloranyl-5-methoxy-phenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-5-methoxy-phenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-5-methoxy-phenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-5-methoxy-benzyl)-8-(2-hydroxyethylamino)-1,3-dimethyl-xanthine Formula: C17H20ClN5O4 MolecularWeight: 393.8248

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC3=C(C=CC(=C3)OC)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC3=C(C=CC(=C3)OC)Cl

InChI

InChI=1S/C17H20ClN5O4/c1-21-14-13(15(25)22(2)17(21)26)23(16(20-14)19-6-7-24)9-10-8-11(27-3)4-5-12(10)18/h4-5,8,24H,6-7,9H2,1-3H3,(H,19,20)