54708944 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 42 43 44 8 8 8 7 7 6 6 6 6 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 2 3 4 4 4 5 5 6 7 7 8 9 9 10 10 11 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 24 25 26 26 27 27 28 8 11 43 12 6 7 8 6 12 10 13 14 9 11 12 16 17 15 18 29 19 30 22 23 20 31 21 32 24 33 24 34 25 35 25 36 26 37 27 38 39 40 28 41 28 42 44 2 1 1 2 1 1 1 2 1 1 2 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 1 9 8 12 11 15 2 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 42 43 44 4.5981 4.5981 6.3301 6.3301 7.1962 7.1962 6.3301 5.4641 5.4641 8.0622 4.5981 6.3301 5.4641 7.1962 3.732 8.0622 8.9282 5.4641 7.1962 8.9282 9.7942 2.866 3.732 6.3301 9.7942 2 2.866 2 4.9272 7.7331 7.5252 8.9282 4.9272 7.7331 8.9282 10.3312 2.866 4.269 6.3301 10.3312 1.4631 2.866 4.0611 1.4631 -0.155 2.845 2.845 -0.155 1.345 0.345 -1.155 0.345 1.345 -0.155 1.845 1.845 -1.655 -1.655 1.345 -1.155 0.345 -2.655 -2.655 -1.655 -0.155 1.845 0.345 -3.155 -1.155 1.345 -0.155 0.345 -1.345 -1.345 -1.465 0.965 -2.965 -2.965 -2.275 0.155 2.465 0.035 -3.775 -1.465 1.655 -0.775 3.155 0.035 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 10 10 13 14 15 15 16 17 18 19 20 21 22 23 26 27 13 14 16 17 18 19 22 23 20 21 24 24 25 25 26 27 28 28 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 663 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003060C1000000000000015000001E00000800000C0C81980031C083000200A80227727400820001212200098801206CD80826AAC8D99184700864C401C8D90790C0200E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-[hydroxy(phenyl)methylene]-1,2-diphenyl-pyrimidine-4,6-dione IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-[hydroxy(phenyl)methylidene]-1,2-diphenylpyrimidine-4,6-dione IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (5<I>E</I>)-5-[hydroxy(phenyl)methylidene]-1,2-diphenylpyrimidine-4,6-dione IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-[hydroxy(phenyl)methylidene]-1,2-diphenylpyrimidine-4,6-dione IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-[oxidanyl(phenyl)methylidene]-1,2-diphenyl-pyrimidine-4,6-dione IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-[hydroxy(phenyl)methylene]-1,2-diphenyl-pyrimidine-4,6-quinone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H16N2O3/c26-20(16-10-4-1-5-11-16)19-22(27)24-21(17-12-6-2-7-13-17)25(23(19)28)18-14-8-3-9-15-18/h1-15,26H/b20-19+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FMIYIDKQEWNYCF-FMQUCBEESA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 368.11609238 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H16N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 368.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=NC(=O)C(=C(C3=CC=CC=C3)O)C(=O)N2C4=CC=CC=C4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=NC(=O)/C(=C(/C3=CC=CC=C3)\O)/C(=O)N2C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 70 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 368.11609238 28 0 0 0 1 1 0 0 1 -1