3830 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 8 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 5 5 6 6 7 7 7 8 8 10 12 12 13 14 14 15 16 10 16 7 9 19 8 13 20 9 15 11 13 11 15 10 17 18 9 11 12 14 21 22 16 23 24 25 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 2 2 1 1 1 2 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 2 3.675 5.4873 2.809 5.4873 3.675 2.809 4.5411 3.675 2.809 4.5411 3.618 6.0709 3.309 2.809 2.309 2.1984 2.597 4.212 5.6799 4.2077 6.6909 3.6734 2.2721 1.9446 2.0684 -0.0194 -1.2147 -1.5194 -2.8242 -3.0194 0.4806 -1.5194 -1.0194 1.4806 -2.5194 2.0684 -2.0194 3.0194 -2.5194 3.0194 0.5882 -0.102 0.2906 -0.6254 1.8768 -2.0194 3.521 -2.8294 3.521 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 4 4 5 5 6 6 8 8 10 12 14 10 16 8 13 9 15 11 13 11 15 9 11 12 14 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 239 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073A0000000000000000000000000000001624000002C000000000000005801FE00001E0010000000080CE1970635F4BEC99440A801AE73E40082882DB530A009D9A1AE5CD88E6E32C4FD7B971D28ECC013D8A9A69811020000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-furylmethyl)-7H-purin-6-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-furanylmethyl)-7H-purin-6-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(furan-2-ylmethyl)-7<I>H</I>-purin-6-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(furan-2-ylmethyl)-7H-purin-6-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(furan-2-ylmethyl)-7H-purin-6-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 kinetin InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QANMHLXAZMSUEX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 215.08070993 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H9N5O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 215.21 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=COC(=C1)CNC2=NC=NC3=C2NC=N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=COC(=C1)CNC2=NC=NC3=C2NC=N3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 79.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 215.08070993 16 0 0 0 0 0 0 0 1 -1