24898648 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 34 35 36 37 38 39 40 78 35 35 16 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 9 -1 14 -1 1 1 2 3 4 4 5 5 6 6 7 7 8 9 9 10 10 11 11 12 12 13 13 14 15 15 16 16 17 18 18 19 19 20 20 21 21 22 22 23 24 25 9 14 25 26 14 26 7 23 8 24 8 10 11 12 13 18 27 19 28 15 29 16 30 20 17 31 17 32 33 21 34 22 35 25 36 23 37 24 38 39 40 26 6 6 1 1 1 1 1 2 1 2 1 2 2 2 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 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 34 35 36 37 38 39 40 1.6819 5.1251 4.0373 2.6524 4.001 2.269 3.135 2.269 1.6819 3.135 1.403 2.5479 0.8158 2.5479 2.5479 0.8158 1.6819 4.001 0.5369 3.4614 4.8671 0.5369 4.8671 1.403 4.1306 3.6306 2.5981 1.403 3.0848 0.2789 3.0848 0.2789 1.6819 4.001 0 3.5903 5.404 0 5.404 1.403 3.62 4.3519 6.236 5.1145 10.356 9.356 10.856 10.356 2.62 11.856 10.856 2.12 2.12 4.12 1.12 1.12 0.62 12.356 10.356 3.7133 11.856 9.356 10.856 8.856 4.4564 5.3224 12.166 11.476 2.43 2.43 0.81 0.81 0 12.976 10.666 3.1068 12.166 9.046 10.546 8.236 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 7 8 9 9 10 11 12 13 14 15 16 18 19 20 21 22 25 14 26 7 23 8 24 10 11 12 13 18 19 15 16 20 17 17 21 22 25 23 24 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 420 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B00004018000000000004000000000001000000002C588000000000000001E000001C04400000018808C156043C8092081008A0013467440082802031022008D8203864980860E2C09191942008608000C8C8071080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 benzene;4,5-dibromo-2H-thiophen-2-ide;platinum(2+);2-(2-pyridyl)pyridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 benzene;4,5-dibromo-2H-thiophen-2-ide;platinum(2+);2-(2-pyridinyl)pyridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 benzene;4,5-dibromo-2<I>H</I>-thiophen-2-ide;platinum(2+);2-pyridin-2-ylpyridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 benzene;4,5-dibromo-2H-thiophen-2-ide;platinum(2+);2-pyridin-2-ylpyridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 benzene;4,5-bis(bromanyl)-2H-thiophen-2-ide;platinum(2+);2-pyridin-2-ylpyridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 benzene;4,5-dibromo-2H-thiophen-2-ide;platinum(2+);2-(2-pyridyl)pyridine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H8N2.C6H5.C4HBr2S.Pt/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-4-6-5-3-1;5-3-1-2-7-4(3)6;/h1-8H;1-5H;1H;/q;2*-1;+2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UULUMMWEHPFGII-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 668.88719 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H14Br2N2PtS Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 669.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=[C-]C=C1.C1=CC=NC(=C1)C2=CC=CC=N2.C1=[C-]SC(=C1Br)Br.[Pt+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=[C-]C=C1.C1=CC=NC(=C1)C2=CC=CC=N2.C1=[C-]SC(=C1Br)Br.[Pt+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 51.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 666.88924 26 0 0 0 0 0 0 0 4 -1