CAS Registry Number: 3680-71-5

Name:

4H-​Pyrrolo[2,​3-​d]​pyrimidin-​4-​one, 3,​7-​dihydro-
4H-​Pyrrolo[2,​3-​d]​pyrimidin-​4-​one, 1,​7-​dihydro- (9CI); 7H-​Pyrrolo[2,​3-​d]​pyrimidin-​4-​ol (6CI,​7CI,​8CI); 7-​Deazahypoxanthine; NSC 124164; NSC 59251 

Deleted CAS Registry Numbers: 39455-​97-​5

Chemical Formula: C6H5N3O
Exact Mass: 135.04
Molecular Weight: 135.12
m/z: 135.04 (100.0%), 136.05 (6.6%), 136.04 (1.1%)
Elemental Analysis: C, 53.33; H, 3.73; N, 31.10; O, 11.84

InChI: InChI=1S/C6H5N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H,(H2,7,8,9,10)
InChIKey: FBMZEITWVNHWJW-UHFFFAOYSA-N
Canonical SMILES : C1=CNC2=C1C(=O)N=CN2

Specification

98%

1. (1) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
2. (2) Chenon, Marie T.; Journal of the American Chemical Society 1975, V97(16), P4627-36 CAPLUS
3. (3) Seela, Frank; Chemische Berichte 1978, V111(8), P2925-30 CAPLUS
4. (4) EP 1444982 A1 2004 CAPLUS