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

Systemtic Name: 3-butyl-8-[(1-methylimidazol-2-yl)sulfanylmethyl]-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(1-methylimidazol-2-yl)sulfanylmethyl]-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(1-methyl-2-imidazolyl)thio]methyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(1-methylimidazol-2-yl)sulfanylmethyl]-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-[[(1-methylimidazol-2-yl)thio]methyl]-7-propyl-xanthine Formula: C17H24N6O2S MolecularWeight: 376.47646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC=CN3C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC=CN3C)CCC

InChI

InChI=1S/C17H24N6O2S/c1-4-6-9-23-14-13(15(24)20-16(23)25)22(8-5-2)12(19-14)11-26-17-18-7-10-21(17)3/h7,10H,4-6,8-9,11H2,1-3H3,(H,20,24,25)