The Biofilms Structural Database
Name
3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one
Molecular Weight
333.84
Isomeric SMILES
CC(C)(C)c1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl
Formula
C16H16ClN3OS
Identifiers
Formal Charge
0
InChI
InChI=1S/C16H16ClN3OS/c1-16(2,3)15-19-11(8-22-15)7-20-9-18-13-5-4-10(17)6-12(13)14(20)21/h4-6,8-9H,7H2,1-3H3
Atom Count
38
InChIKey
FGNPKMRRBOIDGA-UHFFFAOYSA-N
PDB codes
6Z07
Type
NON-POLYMER
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
40
Aromatic Bond Count
11
Leaving Atoms