N-[4-Amino-2-chloro-6-[(2-deoxy-2-fluoro-alpha-D-arabinopyranosyl)amino]-5-pyrimidinyl]-formamide

Analyte Name

N-[4-Amino-2-chloro-6-[(2-deoxy-2-fluoro-alpha-D-arabinopyranosyl)amino]-5-pyrimidinyl]-formamide

CAS Number

1140251-30-4

Molecular Formula

C10 H13 Cl F N5 O4

Molecular Weight

321.69

Accurate Mass

321.064

SMILES

Nc1nc(Cl)nc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2F)c1NC=O

InChI

InChI=1S/C10H13ClFN5O4/c11-10-15-7(13)5(14-2-18)8(17-10)16-9-4(12)6(20)3(19)1-21-9/h2-4,6,9,19-20H,1H2,(H,14,18)(H3,13,15,16,17)/t3-,4+,6-,9+/m1/s1

IUPAC

N-[4-amino-2-chloro-6-[[(2S,3S,4R,5R)-3-fluoro-4,5-dihydroxyoxan-2-yl]amino]pyrimidin-5-yl]formamide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat