4X8
Summary
| Name: | 2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine |
| Formula: | C16 H20 N4 |
| Formal charge: | 0 |
| Formula weight: | 268.357 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine |
| OpenEye OEToolkits | 1.9.2 | 2-[(4-azanyl-3-methyl-pyridin-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1N(Cc2c(C1)cccc2N)Cc3c(c(ccn3)N)C |
| InChI | InChI | 1.03 | InChI=1S/C16H20N4/c1-11-14(17)5-7-19-16(11)10-20-8-6-12-3-2-4-15(18)13(12)9-20/h2-5,7H,6,8-10,18H2,1H3,(H2,17,19) |
| InChIKey | InChI | 1.03 | HNIXXQJEZDAUFJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(N)ccnc1CN2CCc3cccc(N)c3C2 |
| SMILES | CACTVS | 3.385 | Cc1c(N)ccnc1CN2CCc3cccc(N)c3C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(ccnc1CN2CCc3cccc(c3C2)N)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(ccnc1CN2CCc3cccc(c3C2)N)N |
