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

Systemtic Name: 8-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-8-[[4-(2-furoyl)piperazino]methyl]-1,3-dimethyl-xanthine Formula: C20H24N6O5 MolecularWeight: 428.44176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H24N6O5/c1-13(27)11-26-15(21-17-16(26)19(29)23(3)20(30)22(17)2)12-24-6-8-25(9-7-24)18(28)14-5-4-10-31-14/h4-5,10H,6-9,11-12H2,1-3H3