3-butyl-8-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-[[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-[[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-xanthine Formula: C23H29N7O3S MolecularWeight: 483.58646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(N3C4CCCCC4)C5=CC=CO5)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(N3C4CCCCC4)C5=CC=CO5)C

InChI

InChI=1S/C23H29N7O3S/c1-3-4-12-29-20-18(21(31)25-22(29)32)28(2)17(24-20)14-34-23-27-26-19(16-11-8-13-33-16)30(23)15-9-6-5-7-10-15/h8,11,13,15H,3-7,9-10,12,14H2,1-2H3,(H,25,31,32)