BW1
Summary
| Name: | ~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine |
| Formula: | C23 H22 N4 O |
| Formal charge: | 0 |
| Formula weight: | 370.447 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H22N4O/c24-18-8-9-20-21(12-18)26-22(17-4-2-1-3-5-17)27-23(20)25-13-19-11-16(14-28-19)10-15-6-7-15/h1-5,8-9,11-12,14-15H,6-7,10,13,24H2,(H,25,26,27) |
| InChIKey | InChI | 1.03 | HXYMFZXSIIYFTR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2c(NCc3occ(CC4CC4)c3)nc(nc2c1)c5ccccc5 |
| SMILES | CACTVS | 3.385 | Nc1ccc2c(NCc3occ(CC4CC4)c3)nc(nc2c1)c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cc(co4)CC5CC5)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cc(co4)CC5CC5)N |
