7080831 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 8 8 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 14 15 15 18 19 19 19 20 20 21 21 21 22 22 23 14 18 23 16 17 9 10 13 11 12 14 13 16 32 16 17 19 11 24 25 12 26 27 28 29 30 31 15 18 17 33 20 21 34 35 22 36 37 38 39 23 40 41 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 4.4487 3.4782 10.5109 8.7788 7.0468 5.3147 8.7788 9.6448 7.0468 6.1808 6.1808 5.3147 7.9128 4.4487 7.9128 9.6448 8.7788 3.5827 10.5109 2.6691 10.5109 2 2.5 7.2588 7.6574 6.5793 5.7822 5.7822 6.5793 5.1027 4.7042 8.7788 7.3759 10.7229 11.1215 2.5402 11.1309 10.5109 9.8909 1.3834 2.2478 -2.75 -0.2555 -0.25 2.75 -0.25 -1.25 -0.25 1.25 -1.25 0.25 -1.75 -0.25 0.25 -1.75 1.25 0.25 1.75 -1.25 1.75 -1.6567 2.75 -0.9136 -0.0476 -1.8326 -1.1423 0.7249 0.7249 -2.225 -2.225 0.3326 -0.3577 -0.87 1.56 1.1674 1.8577 -2.2632 2.75 3.37 2.75 -0.9784 0.5188 8 8 8 8 8 8 8 8 8 8 8 2 2 7 7 8 8 13 15 18 20 22 18 23 13 16 16 17 15 17 20 22 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 540 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E073B8000000000000000000000000000001200000002C4000000000000000018000001E00100000000804E19006330483C004408800A952D002820800242200088801CE0CC88E663284B53F971928ECC73398A9C69817020000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-ethyl-6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1H-pyrimidine-2,4-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1<I>H</I>-pyrimidine-2,4-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-ethyl-6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-ethyl-6-[4-(2-furoyl)piperazino]uracil InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H18N4O4/c1-2-19-13(20)10-12(16-15(19)22)17-5-7-18(8-6-17)14(21)11-4-3-9-23-11/h3-4,9-10H,2,5-8H2,1H3,(H,16,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IGWBIEDITXEORK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 0.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 318.13280507 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H18N4O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 318.33 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN1C(=O)C=C(NC1=O)N2CCN(CC2)C(=O)C3=CC=CO3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN1C(=O)C=C(NC1=O)N2CCN(CC2)C(=O)C3=CC=CO3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 86.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 318.13280507 23 0 0 0 0 0 0 0 1 -1