886505 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 3 1 20 19 37 21 22 38 3 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 3.675 7.1391 5.4071 3.618 5.4071 6.2731 5.4071 5.4071 5.4071 4.5411 6.2731 4.5411 4.5411 6.2731 4.5411 6.2731 5.4071 6.2731 3.675 3.675 2.809 2.809 2 2.309 3.309 4.7965 5.195 4.0041 6.81 4.0041 6.81 6.81 5.9631 6.81 6.5831 3.1381 4.212 2.2721 1.4103 1.9446 3.6734 -0.7694 -0.7694 2.2306 4.3184 -0.7694 0.7306 -1.7694 -3.7694 -4.7694 -2.2694 -2.2694 -0.2694 -3.2694 -3.2694 0.7306 -0.2694 1.2306 -5.2694 1.2306 2.2306 2.7306 3.7306 4.3184 5.2694 5.2694 -4.6618 -5.352 -1.9594 -1.9594 -3.5794 -3.5794 1.0406 -5.8064 -5.5794 -4.7325 0.9206 2.5406 2.4206 4.1268 5.771 5.771 8 8 8 8 8 8 8 8 1 1 8 8 8 4 4 7 7 8 8 10 11 15 20 22 23 24 22 25 10 11 13 14 13 14 19 21 23 24 25 0 Compound Canonicalized 5 2011.04.04 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 1-(4-ethylphenyl)-5-[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 1-(4-ethylphenyl)-5-[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 1-(4-ethylphenyl)-5-[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 1-(4-ethylphenyl)-5-[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 1-(4-ethylphenyl)-5-[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 1-(4-ethylphenyl)-5-[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) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 VEBQWOYTHCITLV-UHFFFAOYSA-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(=CC=CC3=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 0 2 0 1 -1