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

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(4-oxidanylbutylamino)purine-2,6-dione Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-8-(4-hydroxybutylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(2,4-dichlorophenyl)methyl]-8-(4-hydroxybutylamino)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-8-(4-hydroxybutylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(2,4-dichlorobenzyl)-8-(4-hydroxybutylamino)-3,7-dimethyl-xanthine Formula: C18H21Cl2N5O3 MolecularWeight: 426.29704

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCCO)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1NCCCCO)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C18H21Cl2N5O3/c1-23-14-15(22-17(23)21-7-3-4-8-26)24(2)18(28)25(16(14)27)10-11-5-6-12(19)9-13(11)20/h5-6,9,26H,3-4,7-8,10H2,1-2H3,(H,21,22)