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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=[N+](C2C(=O)NC1=O)CC3=CC=CC=C3Cl)SC4=CC=CC=C4

Isomeric SMILES

CN1C2=NC(=[N+](C2C(=O)NC1=O)CC3=CC=CC=C3Cl)SC4=CC=CC=C4

InChI

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