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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24N4O2S
Molecular Weight 408.517
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JNJ-40929837

SMILES

CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2CC3=CC=C(OC4=NC5=NC=CC=C5S4)C=C3

InChI

InChIKey=QZOOKXDESAXLGB-BCDXTJNWSA-N
InChI=1S/C22H24N4O2S/c1-14(27)24-16-11-17-6-7-18(12-16)26(17)13-15-4-8-19(9-5-15)28-22-25-21-20(29-22)3-2-10-23-21/h2-5,8-10,16-18H,6-7,11-13H2,1H3,(H,24,27)/t16-,17+,18-

HIDE SMILES / InChI

Molecular Formula C22H24N4O2S
Molecular Weight 408.517
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
R5CDF0LNV3
Record Status Validated (UNII)
Record Version