7Q8
Summary
| Name: | 16-chloranyl-~{N},~{N}-dimethyl-15-thia-1$l^{4},12$l^{4},13-triaza-16$l^{4}-indatetracyclo[8.6.0.0^{2,7}.0^{12,16}]hexadeca-1,3,5,7,9,11,13-heptaen-14-amine |
| Formula: | C13 H13 Cl In N4 S |
| Formal charge: | 0 |
| Formula weight: | 407.605 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 16-chloranyl-~{N},~{N}-dimethyl-15-thia-1$l^{4},12$l^{4},13-triaza-16$l^{4}-indatetracyclo[8.6.0.0^{2,7}.0^{12,16}]hexadeca-1,3,5,7,9,11,13-heptaen-14-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H14N4S.ClH.In/c1-17(2)13(18)16-14-9-11-8-7-10-5-3-4-6-12(10)15-11;;/h3-9H,1-2H3,(H,16,18);1H;/q;;+2/p-2/b14-9+;; |
| InChIKey | InChI | 1.03 | UONWAYHNZCSNIT-CAJRCRMVSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=NN=Cc1ccc2ccccc2n1)S[In]Cl |
| SMILES | CACTVS | 3.385 | CN(C)C(=NN=Cc1ccc2ccccc2n1)S[In]Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C1=N[N]2=CC3=CC=C4C=CC=CC4=[N]3[In]2(S1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C1=N[N]2=CC3=CC=C4C=CC=CC4=[N]3[In]2(S1)Cl |
