1-[3-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(1-isobutyl-4,5-dimethyl-imidazol-2-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[[4,5-dimethyl-1-(2-methylpropyl)-2-imidazolyl]thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(1-isobutyl-4,5-dimethyl-imidazol-2-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C19H28N6O2S MolecularWeight: 404.52962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)CC(C)C)C

Isomeric SMILES

CC1=C(N(C(=N1)SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)CC(C)C)C

InChI

InChI=1S/C19H28N6O2S/c1-12(2)10-25-14(4)13(3)21-18(25)28-9-7-8-24-17(26)15-16(20-11-22(15)5)23(6)19(24)27/h11-12H,7-10H2,1-6H3