1,3,9-trimethyl-8-(pyridin-3-ylmethylsulfanyl)purine-2,6-dione

Systemtic Name: 1,3,9-trimethyl-8-(pyridin-3-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 1,3,9-trimethyl-8-(3-pyridylmethylsulfanyl)purine-2,6-dione CAS Name: 1,3,9-trimethyl-8-(3-pyridinylmethylthio)purine-2,6-dione IUPAC Name: 1,3,9-trimethyl-8-(pyridin-3-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 1,3,9-trimethyl-8-(3-pyridylmethylthio)xanthine Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC3=CN=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC3=CN=CC=C3

InChI

InChI=1S/C14H15N5O2S/c1-17-11-10(12(20)19(3)14(21)18(11)2)16-13(17)22-8-9-5-4-6-15-7-9/h4-7H,8H2,1-3H3