A55
Summary
Name: | N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE |
Formula: | C15 H14 F2 N4 O2 |
Formal charge: | 0 |
Formula weight: | 320.294 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | N-{2-[(2R)-4-amino-5,8-difluoro-1,2-dihydroquinazolin-2-yl]ethyl}furan-3-carboxamide |
OpenEye OEToolkits | 1.5.0 | N-[2-[(2R)-4-amino-5,8-difluoro-1,2-dihydroquinazolin-2-yl]ethyl]furan-3-carboxamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NCCC2N=C(N)c1c(F)ccc(F)c1N2)c3ccoc3 |
SMILES_CANONICAL | CACTVS | 3.341 | NC1=N[C@H](CCNC(=O)c2cocc2)Nc3c(F)ccc(F)c13 |
SMILES | CACTVS | 3.341 | NC1=N[CH](CCNC(=O)c2cocc2)Nc3c(F)ccc(F)c13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c2c(c1F)C(=N[C@@H](N2)CCNC(=O)c3ccoc3)N)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c2c(c1F)C(=NC(N2)CCNC(=O)c3ccoc3)N)F |
InChI | InChI | 1.03 | InChI=1S/C15H14F2N4O2/c16-9-1-2-10(17)13-12(9)14(18)21-11(20-13)3-5-19-15(22)8-4-6-23-7-8/h1-2,4,6-7,11,20H,3,5H2,(H2,18,21)(H,19,22)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | BOAUWUUBSXECNL-LLVKDONJSA-N |