7-ethyl-1,3-dimethyl-8-(pyridin-3-ylmethylsulfanyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-(pyridin-3-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-(3-pyridylmethylsulfanyl)purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-(3-pyridinylmethylthio)purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-(pyridin-3-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-(3-pyridylmethylthio)xanthine Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC3=CN=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC3=CN=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H17N5O2S/c1-4-20-11-12(18(2)15(22)19(3)13(11)21)17-14(20)23-9-10-6-5-7-16-8-10/h5-8H,4,9H2,1-3H3