TQT
Summary
| Name: | 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE |
| Formula: | C17 H33 N5 |
| Formal charge: | 0 |
| Formula weight: | 307.477 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,4R,4aR,6S,8aS)-6-[(3aR,7aS)-octahydro-1H-indol-1-ylmethyl]decahydroquinazoline-2,4-diamine |
| OpenEye OEToolkits | 1.5.0 | (6S)-6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazoline-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | NC2NC1CCC(CC1C(N)N2)CN4C3CCCCC3CC4 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H]1N[C@@H](N)[C@@H]2C[C@H](CC[C@@H]2N1)CN3CC[C@H]4CCCC[C@H]34 |
| SMILES | CACTVS | 3.341 | N[CH]1N[CH](N)[CH]2C[CH](CC[CH]2N1)CN3CC[CH]4CCCC[CH]34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CCC2C(C1)CCN2C[C@H]3CCC4C(C3)C(NC(N4)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CCC2C(C1)CCN2CC3CCC4C(C3)C(NC(N4)N)N |
| InChI | InChI | 1.03 | InChI=1S/C17H33N5/c18-16-13-9-11(5-6-14(13)20-17(19)21-16)10-22-8-7-12-3-1-2-4-15(12)22/h11-17,20-21H,1-10,18-19H2/t11-,12+,13+,14-,15-,16+,17+/m0/s1 |
| InChIKey | InChI | 1.03 | HDQIGGQUKAQTGU-SZTTVXCBSA-N |
