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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H22N6O
Molecular Weight 326.3962
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DPH-123554

SMILES

CC[C@@H](C)NC1=NC(C)=NC2=C(C(C)=NN12)C3=CC=C(O)N=C3C

InChI

InChIKey=SEMGGFGBFBTHMD-SECBINFHSA-N
InChI=1S/C17H22N6O/c1-6-9(2)18-17-21-12(5)20-16-15(11(4)22-23(16)17)13-7-8-14(24)19-10(13)3/h7-9H,6H2,1-5H3,(H,19,24)(H,18,20,21)/t9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H22N6O
Molecular Weight 326.3962
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
F775CH53JI
Record Status Validated (UNII)
Record Version