PDB CCD ID: | MSQ |
Number of entries in BioLiP: | 1 |
Chemical formula: | C17 H17 N3 O2 S |
InChI: | InChI=1S/C17H17N3O2S/c1-21-15-8-13-14(9-16(15)22-2)18-10-19-17(13)20-11-5-4-6-12(7-11)23-3/h4-10H,1-3H3,(H,18,19,20) |
InChIKey: | FUSDVOSGGMBSMK-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.341 | COc1cc2ncnc(Nc3cccc(SC)c3)c2cc1OC | OpenEye OEToolkits 1.5.0 | COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)SC | ACDLabs 10.04 | n2c1c(cc(OC)c(OC)c1)c(nc2)Nc3cccc(SC)c3 |
|
Name: | 4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE |
ChEMBL: | CHEMBL29641 |
DrugBank: | DB02984 |
ZINC: | ZINC000002046959 |