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

Systemtic Name: 3-methyl-7-(phenylmethyl)-8-phenylsulfanyl-5H-purin-7-ium-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-phenylsulfanyl-5H-purin-7-ium-2,6-dione CAS Name: 3-methyl-7-(phenylmethyl)-8-(phenylthio)-5H-purin-7-ium-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-phenylsulfanyl-5H-purin-7-ium-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-(phenylthio)-5H-purin-7-ium-2,6-quinone Formula: C19H17N4O2S+ MolecularWeight: 365.42888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O2S/c1-22-16-15(17(24)21-18(22)25)23(12-13-8-4-2-5-9-13)19(20-16)26-14-10-6-3-7-11-14/h2-11,15H,12H2,1H3/p+1