3-butyl-7-ethyl-8-(pyridin-2-ylsulfanylmethyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-(pyridin-2-ylsulfanylmethyl)purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-(2-pyridylsulfanylmethyl)purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[(2-pyridinylthio)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-(pyridin-2-ylsulfanylmethyl)purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[(2-pyridylthio)methyl]xanthine Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=CC=CC=N3)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=CC=CC=N3)CC

InChI

InChI=1S/C17H21N5O2S/c1-3-5-10-22-15-14(16(23)20-17(22)24)21(4-2)12(19-15)11-25-13-8-6-7-9-18-13/h6-9H,3-5,10-11H2,1-2H3,(H,20,23,24)