D4C
Summary
| Name: | 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine |
| Formula: | C17 H14 F N5 |
| Formal charge: | 0 |
| Formula weight: | 307.325 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H14FN5/c18-12-4-2-1-3-10(12)9-23-8-7-11-14(23)6-5-13-15(11)16(19)22-17(20)21-13/h1-8H,9H2,(H4,19,20,21,22) |
| InChIKey | InChI | 1.03 | HAPAUTSWUJUYGK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(N)c2c(ccc3n(Cc4ccccc4F)ccc23)n1 |
| SMILES | CACTVS | 3.385 | Nc1nc(N)c2c(ccc3n(Cc4ccccc4F)ccc23)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)Cn2ccc3c2ccc4c3c(nc(n4)N)N)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)Cn2ccc3c2ccc4c3c(nc(n4)N)N)F |
