6-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-phenethyl-9H-purine-2,8-dione

Systemtic Name: 6-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-phenethyl-9H-purine-2,8-dione Openeye Name: 6-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-phenethyl-9H-purine-2,8-dione CAS Name: 6-[(2-chlorophenyl)methylthio]-3-methyl-7-phenethyl-9H-purine-2,8-dione IUPAC Name: 6-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-phenethyl-9H-purine-2,8-dione Traditional Name: 6-[(2-chlorobenzyl)thio]-3-methyl-7-phenethyl-9H-purine-2,8-quinone Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC1=O)SCC3=CC=CC=C3Cl)N(C(=O)N2)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=NC1=O)SCC3=CC=CC=C3Cl)N(C(=O)N2)CCC4=CC=CC=C4

InChI

InChI=1S/C21H19ClN4O2S/c1-25-18-17(26(21(28)23-18)12-11-14-7-3-2-4-8-14)19(24-20(25)27)29-13-15-9-5-6-10-16(15)22/h2-10H,11-13H2,1H3,(H,23,28)