discadenine

Chemical Formula:

C₁₄H₂₀N₆O₂

Molecular Weight:

304.351 Daltons

Monoisotopic Mass:

305.17259894949996 Daltons

SMILES:

CC(C)=CCNC1(N=CN(C2(=NC=NC=12))CCC([N+])C([O-])=O)

InChI:

1S/C14H20N6O2/c1-9(2)3-5-16-12-11-13(18-7-17-11)20(8-19-12)6-4-10(15)14(21)22/h3,7-8,10,16H,4-6,15H2,1-2H3,(H,21,22)

InChIKey:

KGVAAXZLUAKZEO-UHFFFAOYSA-N

Databases

MetaCyc: DISCADENINE

ChEBI: 15955

PubChem (CID): 25202734 135879920

KEGG: C01804

NCI: 289077

CAS: 62061-49-8

Seed: cpd01244

MetaNetX: MNXM4578