7-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 7-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3-isobutyl-1-methyl-purine-2,6-dione CAS Name: 7-[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]ethyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-[2-[4-(2-furoyl)piperazino]ethyl]-3-isobutyl-1-methyl-xanthine Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H28N6O4/c1-15(2)13-27-18-17(20(29)23(3)21(27)30)26(14-22-18)11-8-24-6-9-25(10-7-24)19(28)16-5-4-12-31-16/h4-5,12,14-15H,6-11,13H2,1-3H3