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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)CCCSC5=NC=CC=N5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)CCCSC5=NC=CC=N5

InChI

InChI=1S/C22H24N8O4S/c1-27-17-16(18(31)26-22(27)33)30(8-4-14-35-20-23-6-3-7-24-20)21(25-17)29-11-9-28(10-12-29)19(32)15-5-2-13-34-15/h2-3,5-7,13H,4,8-12,14H2,1H3,(H,26,31,33)