1-[(3-chlorophenyl)methyl]-8-(cyclopentylamino)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[(3-chlorophenyl)methyl]-8-(cyclopentylamino)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(3-chlorophenyl)methyl]-8-(cyclopentylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(3-chlorophenyl)methyl]-8-(cyclopentylamino)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(3-chlorophenyl)methyl]-8-(cyclopentylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(3-chlorobenzyl)-8-(cyclopentylamino)-3,7-dimethyl-xanthine Formula: C19H22ClN5O2 MolecularWeight: 387.86328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NC3CCCC3)N(C(=O)N(C2=O)CC4=CC(=CC=C4)Cl)C

Isomeric SMILES

CN1C2=C(N=C1NC3CCCC3)N(C(=O)N(C2=O)CC4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C19H22ClN5O2/c1-23-15-16(22-18(23)21-14-8-3-4-9-14)24(2)19(27)25(17(15)26)11-12-6-5-7-13(20)10-12/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H,21,22)