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

Systemtic Name: 8-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1,3,7-trimethyl-xanthine Formula: C15H15N9O2S MolecularWeight: 385.4037

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=NN=C(N3N)C4=CC=NC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC3=NN=C(N3N)C4=CC=NC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H15N9O2S/c1-21-9-11(22(2)15(26)23(3)12(9)25)18-13(21)27-14-20-19-10(24(14)16)8-4-6-17-7-5-8/h4-7H,16H2,1-3H3