PDB CCD ID: | 0NK |
Number of entries in BioLiP: | 1 |
Chemical formula: | C16 H23 N3 O3 |
InChI: | InChI=1S/C16H23N3O3/c1-6-10(7-2)19-16-11-8-12(20-3)14(21-4)15(22-5)13(11)17-9-18-16/h8-10H,6-7H2,1-5H3,(H,17,18,19) |
InChIKey: | TVJPHOZGPOLRKC-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | n2c1c(cc(OC)c(OC)c1OC)c(nc2)NC(CC)CC | OpenEye OEToolkits 1.7.6 | CCC(CC)Nc1c2cc(c(c(c2ncn1)OC)OC)OC | CACTVS 3.370 | CCC(CC)Nc1ncnc2c(OC)c(OC)c(OC)cc12 |
|
Name: | 6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine |
ChEMBL: | CHEMBL3601554 |
ZINC: | ZINC000098207838 |