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Details

Stereochemistry ACHIRAL
Molecular Formula C21H22N4O2S
Molecular Weight 394.49
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[2-(diethylamino)ethyl]-9-oxo-2-thia-11,14-diazatetracyclo[8.7.0.0{3,8}.0{11,15}]heptadeca-1(10),3(8),4,6,12,14,16-heptaene-13-carboxamide

SMILES

CCN(CC)CCNC(=O)C1=CN2C(C=CC3=C2C(=O)C4=C(S3)C=CC=C4)=N1

InChI

InChIKey=NRWZCQQXDMICFD-UHFFFAOYSA-N
InChI=1S/C21H22N4O2S/c1-3-24(4-2)12-11-22-21(27)15-13-25-18(23-15)10-9-17-19(25)20(26)14-7-5-6-8-16(14)28-17/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,27)

HIDE SMILES / InChI

Molecular Formula C21H22N4O2S
Molecular Weight 394.49
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
KX299ZZ48B
Record Status Validated (UNII)
Record Version