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

Systemtic Name: 7-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-8-(cyclohexylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-8-(cyclohexylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-8-(cyclohexylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-8-(cyclohexylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-8-(cyclohexylamino)-1,3-dimethyl-xanthine Formula: C21H24ClN5O4 MolecularWeight: 445.89936

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C21H24ClN5O4/c1-25-18-17(19(28)26(2)21(25)29)27(20(24-18)23-13-6-4-3-5-7-13)10-12-8-15-16(9-14(12)22)31-11-30-15/h8-9,13H,3-7,10-11H2,1-2H3,(H,23,24)