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

Systemtic Name: 7-[(2-chloranyl-5-methoxy-phenyl)methyl]-8-(cyclohexylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-5-methoxy-phenyl)methyl]-8-(cyclohexylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(cyclohexylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(cyclohexylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-5-methoxy-benzyl)-8-(cyclohexylamino)-1,3-dimethyl-xanthine Formula: C21H26ClN5O3 MolecularWeight: 431.91584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN5O3/c1-25-18-17(19(28)26(2)21(25)29)27(12-13-11-15(30-3)9-10-16(13)22)20(24-18)23-14-7-5-4-6-8-14/h9-11,14H,4-8,12H2,1-3H3,(H,23,24)