44134640 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 30 17 17 8 8 7 7 7 7 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 11 12 12 12 13 13 13 18 18 18 19 19 19 2 3 17 16 13 15 19 12 14 18 15 17 14 16 15 30 31 14 32 33 16 20 21 17 22 23 24 25 26 27 28 29 1 1 2 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 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 23 24 25 26 27 28 29 30 31 32 33 0.866 1.732 0 4.0197 4.0197 5.1075 5.1075 5.6075 5.6075 6.8675 6.8675 4.2984 4.2984 5.9165 5.9165 4.6075 4.6075 5.1075 5.1075 3.732 3.9884 3.732 3.9884 4.4875 5.1075 5.7275 4.4875 5.1075 5.7275 7.3283 6.9964 7.3283 6.9964 4.7179 5.2179 5.2179 3.9679 9.9357 1.62 7.5879 3.1588 9.1267 1.8988 7.8666 8.1756 2.2078 8.1756 2.2078 9.1267 3.1588 6.5879 0.62 8.4278 7.6387 2.46 1.6708 6.5879 5.9679 6.5879 0.62 0 0.62 2.3136 1.2923 8.2815 7.2602 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 154 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 2 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371C073B000060000020000000000000000000102000000000000000000000000000000001E00100000000000C180040300034000002800011034000000010000000100008800008040000008201000000000020000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 2-amino-3-methyl-4H-imidazol-5-one;dichlorozinc IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 2-amino-3-methyl-4H-imidazol-5-one;dichlorozinc IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 2-amino-3-methyl-4H-imidazol-5-one;dichlorozinc IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 2-azanyl-3-methyl-4H-imidazol-5-one;bis(chloranyl)zinc IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 2-amino-1-methyl-2-imidazolin-4-one;dichlorozinc InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/2C4H7N3O.2ClH.Zn/c2*1-7-2-3(8)6-4(7)5;;;/h2*2H2,1H3,(H2,5,6,8);2*1H;/q;;;;+2/p-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 SDBNHMFCQJHUNL-UHFFFAOYSA-L Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 359.984671 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C8H14Cl2N6O2Zn Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 362.52176 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 CN1CC(=O)N=C1N.CN1CC(=O)N=C1N.Cl[Zn]Cl SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 CN1CC(=O)N=C1N.CN1CC(=O)N=C1N.Cl[Zn]Cl Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 117 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 359.984671 19 0 0 0 0 0 0 0 3 15