124533 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 16 8 8 7 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 6 6 7 7 8 9 9 10 11 11 11 12 13 7 10 6 9 14 12 14 22 13 14 8 10 8 11 15 12 13 16 17 18 19 20 21 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 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 5.9641 5.4641 2 3.732 2.866 5.4641 4.9641 4.6551 4.5981 6.2731 4.3763 4.5981 3.732 2.866 4.0654 6.8628 4.8779 4.0119 3.8747 5.135 3.732 3.732 2.1749 -0.3639 -2.3639 -2.3639 -0.8639 0.6361 2.1749 1.2239 -0.8639 1.2239 2.9839 -1.8639 -0.3639 -1.8639 1.0323 1.0323 3.3484 3.4855 2.6195 -2.1739 0.2561 -2.9839 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 5 5 6 6 7 9 9 7 10 12 14 13 14 8 10 8 12 13 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 301 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 1 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C0733000400000000000000000000000000120000000200000000000000000018000001E04100000000804C5D004B30782C00408AC003067540403088020281040889A0E08988C2622A4311A821820A4821028A8060000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 5-[(5-methyl-3-thienyl)oxy]-1H-pyrimidin-2-one IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 5-[(5-methyl-3-thiophenyl)oxy]-1H-pyrimidin-2-one IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 5-(5-methylthiophen-3-yl)oxy-1H-pyrimidin-2-one IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 5-(5-methylthiophen-3-yl)oxy-1H-pyrimidin-2-one IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 5-[(5-methyl-3-thienyl)oxy]-1H-pyrimidin-2-one InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C9H8N2O2S/c1-6-2-7(5-14-6)13-8-3-10-9(12)11-4-8/h2-5H,1H3,(H,10,11,12) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 DRBJAKLMKNARRC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 1.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 208.030649 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C9H8N2O2S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 208.23702 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CC1=CC(=CS1)OC2=CNC(=O)N=C2 SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 CC1=CC(=CS1)OC2=CNC(=O)N=C2 Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 78.9 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 208.030649 14 0 0 0 0 0 0 0 1 2