8W2
Summary
| Name: | 2-[3-[[4,6-bis(chloranyl)-1~{H}-indol-2-yl]methylamino]propylamino]-3~{H}-quinazolin-4-one |
| Formula: | C20 H19 Cl2 N5 O |
| Formal charge: | 0 |
| Formula weight: | 416.304 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[3-[[4,6-bis(chloranyl)-1~{H}-indol-2-yl]methylamino]propylamino]-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H19Cl2N5O/c21-12-8-16(22)15-10-13(25-18(15)9-12)11-23-6-3-7-24-20-26-17-5-2-1-4-14(17)19(28)27-20/h1-2,4-5,8-10,23,25H,3,6-7,11H2,(H2,24,26,27,28) |
| InChIKey | InChI | 1.03 | NMEFYZKHRBDWLZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(Cl)c2cc(CNCCCNC3=Nc4ccccc4C(=O)N3)[nH]c2c1 |
| SMILES | CACTVS | 3.385 | Clc1cc(Cl)c2cc(CNCCCNC3=Nc4ccccc4C(=O)N3)[nH]c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)NC(=N2)NCCCNCc3cc4c([nH]3)cc(cc4Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)NC(=N2)NCCCNCc3cc4c([nH]3)cc(cc4Cl)Cl |
