39U
Summary
| Name: | 2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-4-one |
| Formula: | C9 H13 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 211.284 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-4-one |
| OpenEye OEToolkits | 1.9.2 | 2-azanyl-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NCC(Cc2nc(sc12)N)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C9H13N3OS/c1-9(2)3-5-6(7(13)11-4-9)14-8(10)12-5/h3-4H2,1-2H3,(H2,10,12)(H,11,13) |
| InChIKey | InChI | 1.03 | KRPZAWRISMXVDQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CNC(=O)c2sc(N)nc2C1 |
| SMILES | CACTVS | 3.385 | CC1(C)CNC(=O)c2sc(N)nc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC1(Cc2c(sc(n2)N)C(=O)NC1)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1(Cc2c(sc(n2)N)C(=O)NC1)C |
