1905416 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 6 6 6 6 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 2 3 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 11 11 12 13 14 15 15 18 18 18 19 19 20 20 21 21 22 23 23 24 24 25 12 16 17 22 25 7 12 16 16 17 32 10 11 9 13 14 18 26 27 13 28 14 29 15 30 31 17 19 33 34 35 20 36 21 37 22 38 23 24 39 25 40 41 2 2 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 15 12 17 19 20 36 1 1 20 19 37 21 38 22 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 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 6.1808 9.6448 7.9128 3.4782 7.9128 8.7788 7.9128 7.9128 7.9128 7.0468 8.7788 7.0468 7.0468 8.7788 7.0468 8.7788 7.9128 8.7788 6.1808 5.3147 4.4487 3.5827 2.6691 2 2.5 7.3022 7.7008 6.5098 9.3158 6.5098 9.3158 9.3158 8.4688 9.3158 9.0888 6.1808 5.3147 4.4487 2.5402 1.3834 2.2478 0.75 0.75 3.75 1.2555 0.75 2.25 -0.25 -2.25 -3.25 -0.75 -0.75 1.25 -1.75 -1.75 2.25 1.25 2.75 -3.75 2.75 2.25 2.75 2.25 2.6567 1.9136 1.0476 -3.1423 -3.8326 -0.44 -0.44 -2.06 -2.06 2.56 -4.2869 -4.06 -3.2131 3.37 1.63 3.37 3.2632 1.9784 0.4812 8 8 8 8 8 8 8 8 8 8 8 4 4 7 7 8 8 10 11 22 23 24 22 25 10 11 13 14 13 14 23 24 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 603 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B38000000000000000000000000000001200000003C400000000000000001C000001E00100000000C0CA1980233C483C004408802AD52D000820800252200088801066CC88C263ACCF59B863928ECC533C8E9A79880800E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5Z)-1-(4-ethylphenyl)-5-[(E)-3-(2-furyl)prop-2-enylidene]hexahydropyrimidine-2,4,6-trione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5Z)-1-(4-ethylphenyl)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5<I>Z</I>)-1-(4-ethylphenyl)-5-[(<I>E</I>)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5Z)-1-(4-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5Z)-1-(4-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5Z)-1-(4-ethylphenyl)-5-[(E)-3-(2-furyl)prop-2-enylidene]barbituric acid InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H16N2O4/c1-2-13-8-10-14(11-9-13)21-18(23)16(17(22)20-19(21)24)7-3-5-15-6-4-12-25-15/h3-12H,2H2,1H3,(H,20,22,24)/b5-3+,16-7- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 VEBQWOYTHCITLV-JLJGJNDSSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 336.11100700 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H16N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 336.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1=CC=C(C=C1)N2C(=O)C(=CC=CC3=CC=CO3)C(=O)NC2=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1=CC=C(C=C1)N2C(=O)/C(=C\C=C\C3=CC=CO3)/C(=O)NC2=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 79.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 336.11100700 25 0 0 0 2 2 0 0 1 -1