7-[(4-chlorophenyl)methyl]-3-methyl-8-phenylsulfanyl-5H-purin-7-ium-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-phenylsulfanyl-5H-purin-7-ium-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-phenylsulfanyl-5H-purin-7-ium-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(phenylthio)-5H-purin-7-ium-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-phenylsulfanyl-5H-purin-7-ium-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-3-methyl-8-(phenylthio)-5H-purin-7-ium-2,6-quinone Formula: C19H16ClN4O2S+ MolecularWeight: 399.87394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=[N+](C2C(=O)NC1=O)CC3=CC=C(C=C3)Cl)SC4=CC=CC=C4

Isomeric SMILES

CN1C2=NC(=[N+](C2C(=O)NC1=O)CC3=CC=C(C=C3)Cl)SC4=CC=CC=C4

InChI

InChI=1S/C19H15ClN4O2S/c1-23-16-15(17(25)22-18(23)26)24(11-12-7-9-13(20)10-8-12)19(21-16)27-14-5-3-2-4-6-14/h2-10,15H,11H2,1H3/p+1