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

Systemtic Name: 1,3-dimethyl-8-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-7H-purine-2,6-quinone Formula: C20H16N8O2S MolecularWeight: 432.45844

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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)C5=CN=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C20H16N8O2S/c1-26-16-14(17(29)27(2)20(26)30)22-18(23-16)31-19-25-24-15(12-7-6-10-21-11-12)28(19)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,22,23)