QDR
2-{[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one
Find entries where: QDR
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 2-{[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one |
| Identifiers | 2-[(3-azanyl-1H-1,2,4-triazol-5-yl)sulfanylmethyl]-8-methyl-3H-quinazolin-4-one |
| Formula | C12 H12 N6 O S |
| Molecular Weight | 288.328 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1cccc2c1N=C(NC2=O)CSc3[nH]nc(n3)N |
| InChI | InChI=1S/C12H12N6OS/c1-6-3-2-4-7-9(6)14-8(15-10(7)19)5-20-12-16-11(13)17-18-12/h2-4H,5H2,1H3,(H,14,15,19)(H3,13,16,17,18) |
| InChIKey | QKVQIWSGFFADDR-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 32 |
| Chiral Atom Count | 0 |
| Bond Count | 34 |
| Aromatic Bond Count | 11 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 135566578, 9019497 |
