7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[2-(1,3-benzothiazol-2-ylthio)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[2-(1,3-benzothiazol-2-ylthio)ethyl]-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C15H13N5O2S3 MolecularWeight: 391.49102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C15H13N5O2S3/c1-19-11-10(12(21)18-13(19)22)20(14(23)17-11)6-7-24-15-16-8-4-2-3-5-9(8)25-15/h2-5H,6-7H2,1H3,(H,17,23)(H,18,21,22)