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

Systemtic Name: 8-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)purine-2,6-dione Openeye Name: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)purine-2,6-dione CAS Name: 8-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3-methyl-7-[2-methyl-3-(phenylthio)propyl]purine-2,6-dione IUPAC Name: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-(2-methyl-3-phenylsulfanylpropyl)purine-2,6-dione Traditional Name: 8-[4-(2-furoyl)piperazino]-3-methyl-7-[2-methyl-3-(phenylthio)propyl]xanthine Formula: C25H28N6O4S MolecularWeight: 508.59262

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCN(CC3)C(=O)C4=CC=CO4)N(C(=O)NC2=O)C)CSC5=CC=CC=C5

Isomeric SMILES

CC(CN1C2=C(N=C1N3CCN(CC3)C(=O)C4=CC=CO4)N(C(=O)NC2=O)C)CSC5=CC=CC=C5

InChI

InChI=1S/C25H28N6O4S/c1-17(16-36-18-7-4-3-5-8-18)15-31-20-21(28(2)25(34)27-22(20)32)26-24(31)30-12-10-29(11-13-30)23(33)19-9-6-14-35-19/h3-9,14,17H,10-13,15-16H2,1-2H3,(H,27,32,34)