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

Systemtic Name: 3-butyl-7-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]purine-2,6-dione Openeye Name: 3-butyl-7-methyl-8-[(4-methylthiazol-2-yl)sulfanylmethyl]purine-2,6-dione CAS Name: 3-butyl-7-methyl-8-[[(4-methyl-2-thiazolyl)thio]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]purine-2,6-dione Traditional Name: 3-butyl-7-methyl-8-[[(4-methylthiazol-2-yl)thio]methyl]xanthine Formula: C15H19N5O2S2 MolecularWeight: 365.47366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O2S2/c1-4-5-6-20-12-11(13(21)18-14(20)22)19(3)10(17-12)8-24-15-16-9(2)7-23-15/h7H,4-6,8H2,1-3H3,(H,18,21,22)