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Details

Stereochemistry EPIMERIC
Molecular Formula C21H24N8O5
Molecular Weight 468.4659
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-DENOPTERIN

SMILES

CC(N(C)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C2=CN=C3N=C(N)N=C(N)C3=N2

InChI

InChIKey=PDZWMZKEQIIYKL-HQVZTVAUSA-N
InChI=1S/C21H24N8O5/c1-10(14-9-24-18-16(25-14)17(22)27-21(23)28-18)29(2)12-5-3-11(4-6-12)19(32)26-13(20(33)34)7-8-15(30)31/h3-6,9-10,13H,7-8H2,1-2H3,(H,26,32)(H,30,31)(H,33,34)(H4,22,23,24,27,28)/t10?,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H24N8O5
Molecular Weight 468.4659
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
66YR461LC9
Record Status Validated (UNII)
Record Version