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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H17N3O
Molecular Weight 219.2829
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-5166017

SMILES

CCN(C[C@H]1COC(N)=N1)C2=CC=CC=C2

InChI

InChIKey=PPONHQQJLWPUPH-JTQLQIEISA-N
InChI=1S/C12H17N3O/c1-2-15(11-6-4-3-5-7-11)8-10-9-16-12(13)14-10/h3-7,10H,2,8-9H2,1H3,(H2,13,14)/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H17N3O
Molecular Weight 219.2829
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
YK98JFQ52U
Record Status Validated (UNII)
Record Version