SS0
Summary
| Name: | (8R)-8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine |
| Formula: | C18 H29 N5 O |
| Formal charge: | 0 |
| Formula weight: | 331.456 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (8R)-8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine |
| OpenEye OEToolkits | 1.7.2 | (8R)-8-(dimethylaminomethyl)-1-[3-(dimethylamino)propyl]-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n3c2ccc1OCC(Cc1c2n(c3N)CCCN(C)C)CN(C)C |
| InChI | InChI | 1.03 | InChI=1S/C18H29N5O/c1-21(2)8-5-9-23-17-14-10-13(11-22(3)4)12-24-16(14)7-6-15(17)20-18(23)19/h6-7,13H,5,8-12H2,1-4H3,(H2,19,20)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | HTUXJUVSTFSWOD-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(C)CCCn1c(N)nc2ccc3OC[C@@H](CN(C)C)Cc3c12 |
| SMILES | CACTVS | 3.370 | CN(C)CCCn1c(N)nc2ccc3OC[CH](CN(C)C)Cc3c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CN(C)CCCn1c2c(ccc3c2C[C@@H](CO3)CN(C)C)nc1N |
| SMILES | OpenEye OEToolkits | 1.7.2 | CN(C)CCCn1c2c(ccc3c2CC(CO3)CN(C)C)nc1N |
