3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-phenethyl-5H-purin-7-ium-2,6-dione

Systemtic Name: 3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-phenethyl-5H-purin-7-ium-2,6-dione Openeye Name: 3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-phenethyl-5H-purin-7-ium-2,6-dione CAS Name: 3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-7-phenethyl-5H-purin-7-ium-2,6-dione IUPAC Name: 3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-phenethyl-5H-purin-7-ium-2,6-dione Traditional Name: 3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-7-phenethyl-5H-purin-7-ium-2,6-quinone Formula: C17H17N6O2S2+ MolecularWeight: 401.48588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC2=[N+](C3C(=O)NC(=O)N(C3=N2)C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(S1)SC2=[N+](C3C(=O)NC(=O)N(C3=N2)C)CCC4=CC=CC=C4

InChI

InChI=1S/C17H16N6O2S2/c1-10-20-21-17(26-10)27-16-18-13-12(14(24)19-15(25)22(13)2)23(16)9-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3/p+1