CAS Registry Number: 126149-77-7

Name:

7H-​Pyrrolo[2,​3-​d]​pyrimidine-​5-​carboxylic acid, 4-​amino-​, methyl ester
1H-​Pyrrolo[2,​3-​d]​pyrimidine-​5-​carboxylic acid, 4-​amino-​, methyl ester (9CI) 

Chemical Formula: C8H8N4O2
Exact Mass: 192.06
Molecular Weight: 192.17
m/z: 192.06 (100.0%), 193.07 (8.8%), 193.06 (1.5%)
Elemental Analysis: C, 50.00; H, 4.20; N, 29.15; O, 16.65

InChI: InChI=1S/C8H8N4O2/c1-14-8(13)4-2-10-7-5(4)6(9)11-3-12-7/h2-3H,1H3,(H3,9,10,11,12)
InChIKey: CZYXVFNNUIUREC-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CNC2=C1C(=NC=N2)N

Specification

98%

1. (1) Zabriskie, T. Mark; Journal of Natural Products 1989, V52(6), P1353-6 CAPLUS