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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCO)N(C(=O)N(C2=O)CC3=CC(=C(C=C3)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1NCCCO)N(C(=O)N(C2=O)CC3=CC(=C(C=C3)Cl)Cl)C

InChI

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