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Details

Stereochemistry ACHIRAL
Molecular Formula C25H25F2N5O5S
Molecular Weight 545.558
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[4-[1-[(2,6-Difluorophenyl)methyl]-5-[(dimethylamino)methyl]-1,2,3,4-tetrahydro-3-methoxy-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-N?-methoxyurea

SMILES

CONC(=O)NC1=CC=C(C=C1)C2=C(CN(C)C)C3=C(S2)N(CC4=C(F)C=CC=C4F)C(=O)N(OC)C3=O

InChI

InChIKey=DPLPVDZIRAIJIJ-UHFFFAOYSA-N
InChI=1S/C25H25F2N5O5S/c1-30(2)12-17-20-22(33)32(37-4)25(35)31(13-16-18(26)6-5-7-19(16)27)23(20)38-21(17)14-8-10-15(11-9-14)28-24(34)29-36-3/h5-11H,12-13H2,1-4H3,(H2,28,29,34)

HIDE SMILES / InChI

Molecular Formula C25H25F2N5O5S
Molecular Weight 545.558
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
U8P47R64PS
Record Status Validated (UNII)
Record Version