8-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione

Systemtic Name: 8-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Openeye Name: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione CAS Name: 8-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1,3-dimethyl-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione IUPAC Name: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Traditional Name: 8-[4-(2-furoyl)piperazino]-1,3-dimethyl-7-[2-(2-pyrimidylthio)ethyl]xanthine Formula: C22H24N8O4S MolecularWeight: 496.54216

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)CCSC5=NC=CC=N5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)CCSC5=NC=CC=N5

InChI

InChI=1S/C22H24N8O4S/c1-26-17-16(19(32)27(2)22(26)33)30(12-14-35-20-23-6-4-7-24-20)21(25-17)29-10-8-28(9-11-29)18(31)15-5-3-13-34-15/h3-7,13H,8-12,14H2,1-2H3