Stereochemistry | ABSOLUTE |
Molecular Formula | C25H28N6O3 |
Molecular Weight | 460.5282 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(O)C1=NC=C(N=C1)N2C[C@@]3(CCC[C@](C)(CN4C=NC5=C4C=C(C=C5)C#N)C3)OC2=O
InChI
InChIKey=URCMKDJBULWNAI-DQEYMECFSA-N
InChI=1S/C25H28N6O3/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3/t24-,25-/m0/s1
Molecular Formula | C25H28N6O3 |
Molecular Weight | 460.5282 |
Charge | 0 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |