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

Systemtic Name: 8-(2-azanylethylsulfanyl)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(2-aminoethylsulfanyl)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-aminoethylthio)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-aminoethylsulfanyl)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-aminoethylthio)-7-(2-chlorobenzyl)-1,3-dimethyl-xanthine Formula: C16H18ClN5O2S MolecularWeight: 379.86442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5O2S/c1-20-13-12(14(23)21(2)16(20)24)22(15(19-13)25-8-7-18)9-10-5-3-4-6-11(10)17/h3-6H,7-9,18H2,1-2H3