Q3Z
Summary
| Name: | Pt(NH3)2(2-(pyridin-4-ylmethyl)benzo-[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) |
| Formula: | C20 H17 Cl N5 O4 Pt |
| Formal charge: | null |
| Formula weight: | 621.911 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | diamminechlorido{2-[(pyridin-4-yl-kappaN)methyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone}platinum |
| OpenEye OEToolkits | 3.1.0.0 | chloranyl-bis($l^{4}-azanyl)-[4-[[5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]methyl]pyridin-1-yl]platinum |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cl[Pt]([NH3])([NH3])n1ccc(cc1)CN1C(=O)c2ccc3C(=O)NC(=O)c4ccc(c2c34)C1=O |
| InChI | InChI | 1.06 | InChI=1S/C20H11N3O4.ClH.2H3N.Pt/c24-17-11-1-3-13-16-14(4-2-12(15(11)16)18(25)22-17)20(27)23(19(13)26)9-10-5-7-21-8-6-10;;;;/h1-8H,9H2,(H,22,24,25);1H;2*1H3;/q;;;;+1/p-1 |
| InChIKey | InChI | 1.06 | UYXQPFUHTLXJSZ-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | N.N.Cl[Pt].O=C1NC(=O)c2ccc3C(=O)N(Cc4ccncc4)C(=O)c5ccc1c2c35 |
| SMILES | CACTVS | 3.385 | N.N.Cl[Pt].O=C1NC(=O)c2ccc3C(=O)N(Cc4ccncc4)C(=O)c5ccc1c2c35 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c3c(ccc4c3c1C(=O)NC4=O)C(=O)N(C2=O)CC5=CC=[N](C=C5)[Pt]([NH3])([NH3])Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c3c(ccc4c3c1C(=O)NC4=O)C(=O)N(C2=O)CC5=CC=[N](C=C5)[Pt]([NH3])([NH3])Cl |
