764 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 8 7 7 7 7 7 6 6 6 6 6 1 1 1 1 1 1 2 2 2 3 3 3 4 4 5 5 6 6 6 7 7 11 9 8 10 12 7 11 13 8 11 9 10 10 15 16 8 9 14 2 1 1 1 1 1 1 1 2 1 2 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 4.269 4.269 6.0812 6.0812 3.403 2.5369 5.135 5.135 4.269 3.403 6.6648 4.269 6.2738 7.2848 2 2.5369 1.81 -1.19 0.6147 -0.9947 0.31 -1.19 0.31 -0.69 0.81 -0.69 -0.19 -1.81 1.204 -0.19 -0.88 -1.81 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 4 5 5 7 7 8 10 7 11 8 11 9 10 8 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 225 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 000003718063A000000000000000000000000000000160000000200000000000000040018000001E0010000000080801960405B016C99000A8010771740080802D9710A0015181A854408048084048201400800800024000600000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-amino-3,7-dihydropurin-6-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-amino-3,7-dihydropurin-6-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-amino-3,7-dihydropurin-6-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-amino-3,7-dihydropurin-6-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-azanyl-3,7-dihydropurin-6-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-amino-3,7-dihydropurin-6-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UYTPUPDQBNUYGX-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.05.07 -1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 151.04940980 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C5H5N5O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 151.13 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=NC2=C(N1)C(=O)N=C(N2)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=NC2=C(N1)C(=O)N=C(N2)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 96.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 151.04940980 11 0 0 0 0 0 0 0 1 -1