2-[2-diazanyl-3-(6-oxidanylidene-3H-purin-9-yl)-4-propanoyl-pyridin-1-ium-1-yl]ethanal

Systemtic Name: 2-[2-diazanyl-3-(6-oxidanylidene-3H-purin-9-yl)-4-propanoyl-pyridin-1-ium-1-yl]ethanal Openeye Name: 2-[2-hydrazino-3-(6-oxo-3H-purin-9-yl)-4-propanoyl-pyridin-1-ium-1-yl]acetaldehyde CAS Name: 2-[2-hydrazinyl-4-(1-oxopropyl)-3-(6-oxo-3H-purin-9-yl)-1-pyridin-1-iumyl]acetaldehyde IUPAC Name: 2-[2-hydrazinyl-3-(6-oxo-3H-purin-9-yl)-4-propanoylpyridin-1-ium-1-yl]acetaldehyde Traditional Name: 2-[2-hydrazino-3-(6-keto-3H-purin-9-yl)-4-propionyl-pyridin-1-ium-1-yl]acetaldehyde Formula: C15H16N7O3+ MolecularWeight: 342.33264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=[N+](C=C1)CC=O)NN)N2C=NC3=C2NC=NC3=O

Isomeric SMILES

CCC(=O)C1=C(C(=[N+](C=C1)CC=O)NN)N2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C15H15N7O3/c1-2-10(24)9-3-4-21(5-6-23)14(20-16)12(9)22-8-19-11-13(22)17-7-18-15(11)25/h3-4,6-8H,2,5H2,1H3,(H3,16,17,18,24,25)/p+1