7-Cyano-7-deazaguanine

CAS	69205-79-4
Structure
Description	7-Cyano-7-deazaguanine is a marine derived natural products found in Streptomyces qinglanensis.
Synonyms	2-Amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
IUPAC Name	2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-D]pyrimidine-5-carbonitrile
Molecular Weight	175.15
Canonical SMILES	C1=C(C2=C(N1)N=C(NC2=O)N)C#N
InChI	InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)
InChI Key	FMKSMYDYKXQYRV-UHFFFAOYSA-N
Boiling Point	585.1±60.0 °C
Melting Point	>250 °C
Purity	95%+
Density	1.87±0.1 g/cm³
Complexity	327
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	175.0494098
Heavy Atom Count	13
Monoisotopic Mass	175.0494098
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	107 Ų