3-butyl-7-ethyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[(4-methylthiazol-2-yl)sulfanylmethyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[(4-methyl-2-thiazolyl)thio]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[[(4-methylthiazol-2-yl)thio]methyl]xanthine Formula: C16H21N5O2S2 MolecularWeight: 379.50024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC(=CS3)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC(=CS3)C)CC

InChI

InChI=1S/C16H21N5O2S2/c1-4-6-7-21-13-12(14(22)19-15(21)23)20(5-2)11(18-13)9-25-16-17-10(3)8-24-16/h8H,4-7,9H2,1-3H3,(H,19,22,23)