Abacavir-d4 5’-4-Chloro-6-methylpyrimidine-2,5-diamine

Analyte Name

Abacavir-d4 5'-4-Chloro-6-methylpyrimidine-2,5-diamine

Molecular Formula

C18H17D4ClN10O

Molecular Weight

432.9

Accurate Mass

432.18

SMILES

NC1=NC2=C(N=CN2[C@H]3C=C[C@@H](COC4=NC(N)=NC(Cl)=C4N)C3)C(NC5C([2H])([2H])C5([2H])[2H])=N1

InChI

InChI=1S/C18H21ClN10O/c19-13-11(20)16(28-17(21)25-13)30-6-8-1-4-10(5-8)29-7-23-12-14(24-9-2-3-9)26-18(22)27-15(12)29/h1,4,7-10H,2-3,5-6,20H2,(H2,21,25,28)(H3,22,24,26,27)/t8-,10+/m1/s1/i2D2,3D2

IUPAC

N6-(cyclopropyl-2,2,3,3-d4)-9-((1R,4S)-4-(((2,5-diamino-6-chloropyrimidin-4-yl)oxy)methyl)cyclopent-2-en-1-yl)-9H-purine-2,6-diamine

Unlabelled CAS Number

1443421-69-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat