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

Systemtic Name: 8-(cyclohexylamino)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-7-(3,4-dichlorobenzyl)-1,3-dimethyl-xanthine Formula: C20H23Cl2N5O2 MolecularWeight: 436.33492

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H23Cl2N5O2/c1-25-17-16(18(28)26(2)20(25)29)27(11-12-8-9-14(21)15(22)10-12)19(24-17)23-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,23,24)