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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)SCC3=CN=CC=C3)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)SCC3=CN=CC=C3)N(C1=O)C

InChI

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