B2
Summary
Name: | (2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE |
Formula: | C12 H10 F N3 S |
Formal charge: | 0 |
Formula weight: | 247.291 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (2R)-5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine |
OpenEye OEToolkits | 1.5.0 | (2R)-5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc3c1c(NC(N=C1N)c2sccc2)ccc3 |
SMILES_CANONICAL | CACTVS | 3.341 | NC1=N[C@@H](Nc2cccc(F)c12)c3sccc3 |
SMILES | CACTVS | 3.341 | NC1=N[CH](Nc2cccc(F)c12)c3sccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(c(c1)F)C(=N[C@@H](N2)c3cccs3)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(c(c1)F)C(=NC(N2)c3cccs3)N |
InChI | InChI | 1.03 | InChI=1S/C12H10FN3S/c13-7-3-1-4-8-10(7)11(14)16-12(15-8)9-5-2-6-17-9/h1-6,12,15H,(H2,14,16)/t12-/m1/s1 |
InChIKey | InChI | 1.03 | OGKZGPSVQKXXOY-GFCCVEGCSA-N |