Analyte Name

2-methylsulfanyl-5-nitro-4-N,6-N-bis(3,3,4,4-tetradeuteriocyclopentyl)pyrimidine-4,6-diamine

Molecular Formula

C15 D8 H15 N5 O2 S

Molecular Weight

345.49

Accurate Mass

345.207

SMILES

[2H]C1([2H])CC(CC1([2H])[2H])Nc2nc(SC)nc(NC3CC([2H])([2H])C([2H])([2H])C3)c2[N+](=O)[O-]

InChI

InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)/i2D2,3D2,4D2,5D2

IUPAC

2-methylsulfanyl-5-nitro-4-N,6-N-bis(3,3,4,4-tetradeuteriocyclopentyl)pyrimidine-4,6-diamine

Unlabelled CAS Number

39069-52-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat