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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24N6O3
Molecular Weight 420.4644
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide, (2R)-

SMILES

CC1=NC(=NC(=C1)N2CCC[C@@H]2C(=O)NCCC3=CC4=C(OCO4)C=C3)N5C=CN=C5

InChI

InChIKey=LBCGUKCXRVUULK-QGZVFWFLSA-N
InChI=1S/C22H24N6O3/c1-15-11-20(26-22(25-15)27-10-8-23-13-27)28-9-2-3-17(28)21(29)24-7-6-16-4-5-18-19(12-16)31-14-30-18/h4-5,8,10-13,17H,2-3,6-7,9,14H2,1H3,(H,24,29)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H24N6O3
Molecular Weight 420.4644
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
RT8DF4MCG2
Record Status Validated (UNII)
Record Version