YCB
Summary
| Name: | ~{N}2-[3-(dimethylamino)propyl]-6-phenyl-~{N}4-(piperidin-4-ylmethyl)quinazoline-2,4-diamine |
| Formula: | C25 H34 N6 |
| Formal charge: | 0 |
| Formula weight: | 418.578 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}2-[3-(dimethylamino)propyl]-6-phenyl-~{N}4-(piperidin-4-ylmethyl)quinazoline-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H34N6/c1-31(2)16-6-13-27-25-29-23-10-9-21(20-7-4-3-5-8-20)17-22(23)24(30-25)28-18-19-11-14-26-15-12-19/h3-5,7-10,17,19,26H,6,11-16,18H2,1-2H3,(H2,27,28,29,30) |
| InChIKey | InChI | 1.06 | ZQESDCZQQXAWMA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCCNc1nc(NCC2CCNCC2)c3cc(ccc3n1)c4ccccc4 |
| SMILES | CACTVS | 3.385 | CN(C)CCCNc1nc(NCC2CCNCC2)c3cc(ccc3n1)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCCNc1nc2ccc(cc2c(n1)NCC3CCNCC3)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCCNc1nc2ccc(cc2c(n1)NCC3CCNCC3)c4ccccc4 |
