A1L7I
Summary
| Name: | (2~{S})-~{N}-[3-[3-[bis(azanyl)methylideneamino]propyl]-5-(1~{H}-indol-3-yl)pyrazin-2-yl]-2-methyl-butanamide |
| Formula: | C21 H27 N7 O |
| Formal charge: | 0 |
| Formula weight: | 393.485 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-~{N}-[3-[3-[bis(azanyl)methylideneamino]propyl]-5-(1~{H}-indol-3-yl)pyrazin-2-yl]-2-methyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H27N7O/c1-3-13(2)20(29)28-19-17(9-6-10-24-21(22)23)27-18(12-26-19)15-11-25-16-8-5-4-7-14(15)16/h4-5,7-8,11-13,25H,3,6,9-10H2,1-2H3,(H4,22,23,24)(H,26,28,29)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | PSYJEEMZZIZTSR-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C)C(=O)Nc1ncc(nc1CCCN=C(N)N)c2c[nH]c3ccccc23 |
| SMILES | CACTVS | 3.385 | CC[CH](C)C(=O)Nc1ncc(nc1CCCN=C(N)N)c2c[nH]c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H](C)C(=O)Nc1c(nc(cn1)c2c[nH]c3c2cccc3)CCCN=C(N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C)C(=O)Nc1c(nc(cn1)c2c[nH]c3c2cccc3)CCCN=C(N)N |
