7-[2-(1,2,3-benzotriazin-4-ylsulfanyl)ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(1,2,3-benzotriazin-4-ylsulfanyl)ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(1,2,3-benzotriazin-4-ylsulfanyl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1,2,3-benzotriazin-4-ylthio)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(1,2,3-benzotriazin-4-ylsulfanyl)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(1,2,3-benzotriazin-4-ylthio)ethyl]-1,3-dimethyl-xanthine Formula: C16H15N7O2S MolecularWeight: 369.401

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NN=NC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NN=NC4=CC=CC=C43

InChI

InChI=1S/C16H15N7O2S/c1-21-13-12(15(24)22(2)16(21)25)23(9-17-13)7-8-26-14-10-5-3-4-6-11(10)18-20-19-14/h3-6,9H,7-8H2,1-2H3