7-[(2-chlorophenyl)methyl]-8-[(2-chlorophenyl)sulfanylmethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-[(2-chlorophenyl)sulfanylmethyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-[(2-chlorophenyl)sulfanylmethyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-[[(2-chlorophenyl)thio]methyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-[(2-chlorophenyl)sulfanylmethyl]-3-methylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-[[(2-chlorophenyl)thio]methyl]-3-methyl-xanthine Formula: C20H16Cl2N4O2S MolecularWeight: 447.33764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=CC=CC=C3Cl)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=CC=CC=C3Cl)CC4=CC=CC=C4Cl

InChI

InChI=1S/C20H16Cl2N4O2S/c1-25-18-17(19(27)24-20(25)28)26(10-12-6-2-3-7-13(12)21)16(23-18)11-29-15-9-5-4-8-14(15)22/h2-9H,10-11H2,1H3,(H,24,27,28)