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Details

Stereochemistry ACHIRAL
Molecular Formula C21H27N5
Molecular Weight 349.4726
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of D75-4590

SMILES

CCN(CC)CCNC1=C(CC)C(C)=C(C#N)C2=NC3=C(C=CC=C3)N12

InChI

InChIKey=DMKNXKIUSPUYQP-UHFFFAOYSA-N
InChI=1S/C21H27N5/c1-5-16-15(4)17(14-22)21-24-18-10-8-9-11-19(18)26(21)20(16)23-12-13-25(6-2)7-3/h8-11,23H,5-7,12-13H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C21H27N5
Molecular Weight 349.4726
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
PS449L7PJY
Record Status Validated (UNII)
Record Version