690389 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 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 3 4 5 5 5 6 6 6 7 7 7 10 10 11 11 12 12 14 15 15 16 16 17 12 17 8 9 13 8 13 19 9 13 20 8 9 10 11 18 14 21 14 15 22 16 23 17 24 25 1 1 2 2 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 2 1 1 11 10 21 14 22 12 2 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 3.618 3.675 5.4071 7.1391 5.4071 6.2731 4.5411 4.5411 5.4071 3.675 3.675 2.809 6.2731 2.809 2 2.309 3.309 3.1381 5.4071 6.81 4.212 2.2721 1.4103 1.9446 3.6734 2.3784 -2.7094 0.2906 -2.7094 -2.7094 -1.2094 -1.2094 -2.2094 -0.7094 -0.7094 0.2906 1.7906 -2.2094 0.7906 2.3784 3.3294 3.3294 -1.0194 -3.3294 -0.8994 0.6006 0.4806 2.1868 3.831 3.831 8 8 8 8 8 1 1 12 15 16 12 17 15 16 17 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 403 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C07338000000000000000000000000000001200000002C0000000000000000018000001E00100000000C04A19002310482C004408802A95290008208002420000888010608C88C263A8C751A861920ACC53308A9868800000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 5-[(E)-3-(2-furyl)prop-2-enylidene]hexahydropyrimidine-2,4,6-trione IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 5-[(E)-3-(2-furanyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 5-[(E)-3-(2-furyl)prop-2-enylidene]barbituric acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C11H8N2O4/c14-9-8(10(15)13-11(16)12-9)5-1-3-7-4-2-6-17-7/h1-6H,(H2,12,13,14,15,16)/b3-1+ InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 PRGJOMANJQAXIH-HNQUOIGGSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 232.048407 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C11H8N2O4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 232.19222 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=COC(=C1)C=CC=C2C(=O)NC(=O)NC2=O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=COC(=C1)/C=C/C=C2C(=O)NC(=O)NC2=O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 88.4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 232.048407 17 0 0 0 1 1 0 0 1 5