1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(5-oxidanylpentylamino)purine-2,6-dione

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(5-oxidanylpentylamino)purine-2,6-dione Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-8-(5-hydroxypentylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(2,4-dichlorophenyl)methyl]-8-(5-hydroxypentylamino)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-8-(5-hydroxypentylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(2,4-dichlorobenzyl)-8-(5-hydroxypentylamino)-3,7-dimethyl-xanthine Formula: C19H23Cl2N5O3 MolecularWeight: 440.32362

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCCCO)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1NCCCCCO)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C19H23Cl2N5O3/c1-24-15-16(23-18(24)22-8-4-3-5-9-27)25(2)19(29)26(17(15)28)11-12-6-7-13(20)10-14(12)21/h6-7,10,27H,3-5,8-9,11H2,1-2H3,(H,22,23)