8C3
Summary
| Name: | N-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^2,6]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide |
| Formula: | C18 H25 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 375.488 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H25N5O2S/c1-4-21(5-2)9-6-8-19-17(24)12-22-18(25)15-11-16-14(7-10-26-16)23(15)13(3)20-22/h7,10-11H,4-6,8-9,12H2,1-3H3,(H,19,24) |
| InChIKey | InChI | 1.03 | DRDIHUMOFDGYRJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)CCCNC(=O)CN1N=C(C)n2c3ccsc3cc2C1=O |
| SMILES | CACTVS | 3.385 | CCN(CC)CCCNC(=O)CN1N=C(C)n2c3ccsc3cc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN(CC)CCCNC(=O)CN1C(=O)c2cc3c(n2C(=N1)C)ccs3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCN(CC)CCCNC(=O)CN1C(=O)c2cc3c(n2C(=N1)C)ccs3 |
