Analyte Name

(R)-N-(1-(7-(But-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidin-3-yl)formamide

CAS Number

3037659-49-4

Molecular Formula

C26H28N8O3

Molecular Weight

500.56

Accurate Mass

500.23

SMILES

CC1=C2C=CC=CC2=NC(CN3C(N(C)C(N=C(N4CCC[C@@H](NC=O)C4)N5CC#CC)=C5C3=O)=O)=N1

InChI

InChI=1S/C26H28N8O3/c1-4-5-13-33-22-23(30-25(33)32-12-8-9-18(14-32)27-16-35)31(3)26(37)34(24(22)36)15-21-28-17(2)19-10-6-7-11-20(19)29-21/h6-7,10-11,16,18H,8-9,12-15H2,1-3H3,(H,27,35)/t18-/m1/s1

IUPAC

(R)-N-(1-(7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidin-3-yl)formamide

Country of Origin

CANADA

Product Format

Neat