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Details

Stereochemistry RACEMIC
Molecular Formula C10H14N4O4
Molecular Weight 254.2426
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROXYPROPYLTHEOBROMINE

SMILES

CN1C=NC2=C1C(=O)N(CC(O)CO)C(=O)N2C

InChI

InChIKey=RRBSZTYIWIHPST-UHFFFAOYSA-N
InChI=1S/C10H14N4O4/c1-12-5-11-8-7(12)9(17)14(3-6(16)4-15)10(18)13(8)2/h5-6,15-16H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H14N4O4
Molecular Weight 254.2426
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
SU17H31P26
Record Status Validated (UNII)
Record Version