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

Systemtic Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-[(3,4-dichlorophenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3,4-dichlorophenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3,4-dichlorophenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3,4-dichlorobenzyl)-8-(3-hydroxypropylamino)-1,3-dimethyl-xanthine Formula: C17H19Cl2N5O3 MolecularWeight: 412.27046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCO)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCO)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H19Cl2N5O3/c1-22-14-13(15(26)23(2)17(22)27)24(16(21-14)20-6-3-7-25)9-10-4-5-11(18)12(19)8-10/h4-5,8,25H,3,6-7,9H2,1-2H3,(H,20,21)