8-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[5-(1-benzotriazolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C21H16N10O2S MolecularWeight: 472.48254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NN=C(N3C4=CC=CC=C4)N5C6=CC=CC=C6N=N5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NN=C(N3C4=CC=CC=C4)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C21H16N10O2S/c1-28-16-15(17(32)29(2)21(28)33)22-18(23-16)34-20-26-25-19(30(20)12-8-4-3-5-9-12)31-14-11-7-6-10-13(14)24-27-31/h3-11H,1-2H3,(H,22,23)