CX8
Summary
| Name: | [2-{3-[(2-{[2-(amino-kappaN)ethyl]amino-kappaN}ethyl)amino-kappaN]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dionato(3-)]platinum |
| Formula: | C19 H21 N4 O2 Pt |
| Formal charge: | 0 |
| Formula weight: | 532.474 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [2-{3-[(2-{[2-(amino-kappaN)ethyl]amino-kappaN}ethyl)amino-kappaN]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dionato(3-)]platinum |
| OpenEye OEToolkits | 1.9.2 | 2-[3-(1,4,6-triaza-5$l^{3}-platinabicyclo[3.3.0]octan-4-yl)propyl]benzo[de]isoquinoline-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C3c1c2c(ccc1)cccc2C(=O)N3CCCN5[Pt]4NCCN4CC5 |
| InChI | InChI | 1.03 | InChI=1S/C19H21N4O2.Pt/c20-8-10-22-12-11-21-9-3-13-23-18(24)15-6-1-4-14-5-2-7-16(17(14)15)19(23)25;/h1-2,4-7,20H,3,8-13H2;/q-3;+3 |
| InChIKey | InChI | 1.03 | XUMMUUAWYGZUAF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1N(CCCN2CCN3CCN[Pt]23)C(=O)c4cccc5cccc1c45 |
| SMILES | CACTVS | 3.385 | O=C1N(CCCN2CCN3CCN[Pt]23)C(=O)c4cccc5cccc1c45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCN5[Pt]4NCC5 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCN5[Pt]4NCC5 |
