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

Systemtic Name: 8-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C17H17N7O3S MolecularWeight: 399.42698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NN=C(N3C4=CC=CC=C4)COC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NN=C(N3C4=CC=CC=C4)COC

InChI

InChI=1S/C17H17N7O3S/c1-22-13-12(14(25)23(2)17(22)26)18-15(19-13)28-16-21-20-11(9-27-3)24(16)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,18,19)