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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30N6O
Molecular Weight 394.5132
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAMURACICLIB

SMILES

CC(C)C1=C2N=C(NC[C@H]3CCNC[C@@H]3O)C=C(NCC4=CC=CC=C4)N2N=C1

InChI

InChIKey=YCVGLKWJKIKVBI-MJGOQNOKSA-N
InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H30N6O
Molecular Weight 394.5132
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
46D4HS9ODA
Record Status Validated (UNII)
Record Version