L6A
Summary
| Name: | 4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide |
| Formula: | C16 H14 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 294.308 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H14N4O2/c17-15-13-5-12(16(18)22)11(6-14(13)19-8-20-15)10-3-1-2-9(4-10)7-21/h1-6,8,21H,7H2,(H2,18,22)(H2,17,19,20) |
| InChIKey | InChI | 1.06 | UNWGLQGHMTWDJL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cc2c(N)ncnc2cc1c3cccc(CO)c3 |
| SMILES | CACTVS | 3.385 | NC(=O)c1cc2c(N)ncnc2cc1c3cccc(CO)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)c2cc3c(cc2C(=O)N)c(ncn3)N)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)c2cc3c(cc2C(=O)N)c(ncn3)N)CO |
