7-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-8-(cyclohexylamino)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-8-(cyclohexylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(3-chloro-4-hydroxy-phenyl)methyl]-8-(cyclohexylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-chloro-4-hydroxyphenyl)methyl]-8-(cyclohexylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3-chloro-4-hydroxyphenyl)methyl]-8-(cyclohexylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-chloro-4-hydroxy-benzyl)-8-(cyclohexylamino)-1,3-dimethyl-xanthine Formula: C20H24ClN5O3 MolecularWeight: 417.88926

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC4=CC(=C(C=C4)O)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC4=CC(=C(C=C4)O)Cl

InChI

InChI=1S/C20H24ClN5O3/c1-24-17-16(18(28)25(2)20(24)29)26(11-12-8-9-15(27)14(21)10-12)19(23-17)22-13-6-4-3-5-7-13/h8-10,13,27H,3-7,11H2,1-2H3,(H,22,23)