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

Systemtic Name: 3-butyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(4-methylthiazol-2-yl)sulfanylmethyl]-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(4-methyl-2-thiazolyl)thio]methyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-[[(4-methylthiazol-2-yl)thio]methyl]-7-propyl-xanthine Formula: C17H23N5O2S2 MolecularWeight: 393.52682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O2S2/c1-4-6-8-22-14-13(15(23)20-16(22)24)21(7-5-2)12(19-14)10-26-17-18-11(3)9-25-17/h9H,4-8,10H2,1-3H3,(H,20,23,24)