2803014 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 8 8 8 7 7 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 2 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 16 16 17 19 18 20 18 20 29 19 20 30 7 8 12 9 10 13 14 11 21 15 22 18 19 16 23 15 24 17 25 26 17 27 28 2 2 2 1 1 1 1 1 1 1 1 2 1 2 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 2 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 30 3.732 5.4641 2 3.732 2.866 6.3301 5.4641 6.3301 5.4641 4.5981 4.5981 7.2241 5.4641 7.2241 4.5981 8.1301 8.1301 4.5981 3.732 2.866 6.001 4.0611 7.2169 5.4641 7.2169 4.0611 8.6659 8.6659 3.732 2.3291 0.7927 -2.2073 -2.2073 -2.2073 -0.7073 1.2927 0.7927 2.2927 -0.2073 1.2927 -0.7073 0.758 2.7927 2.8273 2.2927 1.2718 2.3135 -1.7073 -0.2073 -1.7073 -0.5173 0.9827 0.138 3.4127 3.4473 2.6027 0.9598 2.6256 -2.8273 -0.3973 8 8 8 8 8 8 8 8 8 8 8 6 6 6 7 8 8 10 12 13 14 16 7 8 12 10 13 14 15 16 15 17 17 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.04.04 462 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.04.04 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.04.04 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.04.04 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.04.04 00000371C07330000000000000000000000000000000000000003C6080000000000000C15000001E00100000000C008198003100C2C000008802215210008200002000000888010000C888202A8851108420002885220889870080C00E80000200001000000000040000200000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.04.04 5-(1-naphthylmethylene)hexahydropyrimidine-2,4,6-trione IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.04.04 5-(1-naphthalenylmethylidene)-1,3-diazinane-2,4,6-trione IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.04.04 5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.04.04 5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.04.04 5-(1-naphthylmethylene)barbituric acid InChI Standard 1 1.0.3 InChI nist.gov 2011.04.04 InChI=1S/C15H10N2O3/c18-13-12(14(19)17-15(20)16-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H2,16,17,18,19,20) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.04.04 IRRHWYDVBCZPOS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.04.04 2.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 266.069142 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 C15H10N2O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 266.2515 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.04.04 C1=CC=C2C(=C1)C=CC=C2C=C3C(=O)NC(=O)NC3=O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.04.04 C1=CC=C2C(=C1)C=CC=C2C=C3C(=O)NC(=O)NC3=O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.04.04 75.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 266.069142 20 0 0 0 0 0 0 0 1 5