J2O
Summary
| Name: | 11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine |
| Formula: | C9 H10 Au N3 O S |
| Formal charge: | 0 |
| Formula weight: | 405.227 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H12N3OS.Au/c1-6-2-3-8(13)7(4-6)5-11-12-9(10)14;/h2-4,13H,5H2,1H3,(H3,10,12,14);/q-1;+3/p-2 |
| InChIKey | InChI | 1.03 | MCPPSWFCAHTLOQ-UHFFFAOYSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2O[Au]3SC(=NN3Cc2c1)N |
| SMILES | CACTVS | 3.385 | Cc1ccc2O[Au]3SC(=NN3Cc2c1)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)CN3N=C(S[Au]3O2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)CN3N=C(S[Au]3O2)N |
