4-[3-[2-(6-aminopurin-9-yl)ethanoylamino]propylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-[2-(6-aminopurin-9-yl)ethanoylamino]propylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[[2-(6-aminopurin-9-yl)acetyl]amino]propylamino]-4-oxo-butanoic acid CAS Name: 4-[3-[[2-(6-aminopurin-9-yl)-1-oxoethyl]amino]propylamino]-4-oxobutanoic acid IUPAC Name: 4-[3-[[2-(6-aminopurin-9-yl)acetyl]amino]propylamino]-4-oxobutanoic acid Traditional Name: 4-[3-[(2-adenin-9-ylacetyl)amino]propylamino]-4-keto-butyric acid Formula: C14H19N7O4 MolecularWeight: 349.34516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CC(=O)NCCCNC(=O)CCC(=O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CC(=O)NCCCNC(=O)CCC(=O)O

InChI

InChI=1S/C14H19N7O4/c15-13-12-14(19-7-18-13)21(8-20-12)6-10(23)17-5-1-4-16-9(22)2-3-11(24)25/h7-8H,1-6H2,(H,16,22)(H,17,23)(H,24,25)(H2,15,18,19)