8-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-7H-purine-2,6-dione

Systemtic Name: 8-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-7H-purine-2,6-dione Openeye Name: 8-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-7H-purine-2,6-dione CAS Name: 8-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-7H-purine-2,6-quinone Formula: C14H12N6O2S MolecularWeight: 328.34908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C14H12N6O2S/c1-20-11-10(12(21)19-14(20)22)17-9(18-11)6-23-13-15-7-4-2-3-5-8(7)16-13/h2-5H,6H2,1H3,(H,15,16)(H,17,18)(H,19,21,22)