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

Systemtic Name: 8-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[4-(2-furoyl)piperazino]-3-methyl-xanthine Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N3CCN(CC3)C(=O)C4=CC=CO4)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N3CCN(CC3)C(=O)C4=CC=CO4)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H26N6O4/c1-3-4-5-8-26-15-16(23(2)20(29)22-17(15)27)21-19(26)25-11-9-24(10-12-25)18(28)14-7-6-13-30-14/h6-7,13H,3-5,8-12H2,1-2H3,(H,22,27,29)