Stereochemistry | ABSOLUTE |
Molecular Formula | C17H19N5O2.C2H6O4S |
Molecular Weight | 451.497 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OCCS(O)(=O)=O.CCOC(=O)NC1=NC(N)=C2N=C([C@H](C)NC2=C1)C3=CC=CC=C3
InChI
InChIKey=JEFPWOBULVSOTM-PPHPATTJSA-N
InChI=1S/C17H19N5O2.C2H6O4S/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11;3-1-2-7(4,5)6/h4-10,19H,3H2,1-2H3,(H3,18,20,21,23);3H,1-2H2,(H,4,5,6)/t10-;/m0./s1