8-chloranyl-7-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(3-chlorobenzothiophen-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(3-chloro-1-benzothiophen-2-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(3-chloro-1-benzothiophen-2-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[(3-chlorobenzothiophen-2-yl)methyl]-1,3-dimethyl-xanthine Formula: C16H12Cl2N4O2S MolecularWeight: 395.26308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C16H12Cl2N4O2S/c1-20-13-12(14(23)21(2)16(20)24)22(15(18)19-13)7-10-11(17)8-5-3-4-6-9(8)25-10/h3-6H,7H2,1-2H3