4763 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 8 8 8 7 7 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 2 3 4 4 4 5 5 5 6 6 6 6 7 7 7 8 8 11 11 11 12 12 13 13 15 15 16 16 17 9 10 14 9 14 23 10 14 24 7 8 9 10 11 18 19 12 13 20 21 22 15 25 16 26 17 27 17 28 29 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 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 5.4641 2 3.732 4.5981 2.866 3.732 3.232 4.232 4.5981 2.866 2.232 5.232 3.732 3.732 5.732 4.232 5.232 3.8147 3.1244 2.232 1.612 2.232 5.135 2.3291 5.542 3.112 6.352 3.922 5.542 0.201 0.201 -2.799 -1.299 -1.299 0.201 1.067 1.067 -0.299 -0.299 1.067 1.067 1.933 -1.799 1.933 2.799 2.799 1.279 1.6776 1.687 1.067 0.447 -1.609 -1.609 0.5301 1.933 1.933 3.336 3.336 8 8 8 8 8 8 8 8 12 13 15 16 12 13 15 16 17 17 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 339 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 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 00000371C07330000000000000000000000000000000000000003C4000000000000000010000001E00100000000E00819800330082C0000088022152100002000020000008880100008888203A88D5118420002885220888071888C08F80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 5-ethyl-5-phenyl-barbituric acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 DDBREPKUVSBGFI-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 232.084792 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C12H12N2O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 232.23528 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 75.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 232.084792 17 0 0 0 0 0 0 0 1 5