2022 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 8 8 8 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 2 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 9 10 10 11 12 15 15 15 16 16 10 15 13 16 27 9 10 12 9 14 20 11 12 13 14 14 25 26 11 17 18 13 19 16 21 22 23 24 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 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 7.3704 4.269 8.9702 6.0812 4.269 6.0812 3.403 2.5369 5.135 6.3919 5.135 6.6648 4.269 3.403 7.6811 8.6596 6.3713 5.7781 7.2848 4.269 7.6605 7.0672 8.6801 9.2734 2 2.5369 9.5769 0.8632 -3.0983 2.9704 -0.2936 -0.0983 -1.903 -1.5983 -0.0983 -0.5983 0.657 -1.5983 -1.0983 -2.0983 -0.5983 1.8137 2.0199 1.2766 0.7443 -1.0983 0.5217 2.4334 1.901 1.4003 1.9326 -0.4083 0.5217 3.0983 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 7 7 9 11 9 12 9 14 11 12 13 14 11 13 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.402 Cactvs xemistry.com 2012.05.21 308 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.402 Cactvs xemistry.com 2012.05.21 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.402 Cactvs xemistry.com 2012.05.21 3 Count Rotatable Bond 5 E_NROTBONDS 3.402 Cactvs xemistry.com 2012.05.21 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.402 Cactvs xemistry.com 2012.05.21 00000371C073B000000000000000000000000000000160000000200000000000000040018000001E00100800000808A1960605B017CC1600A8010771740080802D1710A0015001A854408158084048201C00800800024300600000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.05.21 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.05.21 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.05.21 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.05.21 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.05.21 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one InChI Standard 1 1.0.4 InChI iupac.org 2012.05.21 InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.05.21 MKUXAQIIEYXACX-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.05.21 -1.6 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 225.086189 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 C8H11N5O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 225.20464 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.05.21 C1=NC2=C(N1COCCO)NC(=NC2=O)N SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.05.21 C1=NC2=C(N1COCCO)NC(=NC2=O)N Topological Polar Surface Area 7 E_TPSA 3.402 Cactvs xemistry.com 2012.05.21 115 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 225.086189 16 0 0 0 0 0 0 0 1 9