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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(3-oxidanylpropylsulfanyl)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-(3-hydroxypropylsulfanyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(3-hydroxypropylthio)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-(3-hydroxypropylsulfanyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(3-hydroxypropylthio)-1,3-dimethyl-xanthine Formula: C17H19ClN4O3S MolecularWeight: 394.87576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCO)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCO)CC3=CC=CC=C3Cl

InChI

InChI=1S/C17H19ClN4O3S/c1-20-14-13(15(24)21(2)17(20)25)22(16(19-14)26-9-5-8-23)10-11-6-3-4-7-12(11)18/h3-4,6-7,23H,5,8-10H2,1-2H3