3-[6-azanylidene-9-(2-cyanoethyl)purin-1-yl]propanoic acid

Systemtic Name: 3-[6-azanylidene-9-(2-cyanoethyl)purin-1-yl]propanoic acid Openeye Name: 3-[9-(2-cyanoethyl)-6-imino-purin-1-yl]propanoic acid CAS Name: 3-[9-(2-cyanoethyl)-6-imino-1-purinyl]propanoic acid IUPAC Name: 3-[9-(2-cyanoethyl)-6-iminopurin-1-yl]propanoic acid Traditional Name: 3-[9-(2-cyanoethyl)-6-imino-purin-1-yl]propionic acid Formula: C11H12N6O2 MolecularWeight: 260.25198

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC#N)N=CN(C2=N)CCC(=O)O

Isomeric SMILES

C1=NC2=C(N1CCC#N)N=CN(C2=N)CCC(=O)O

InChI

InChI=1S/C11H12N6O2/c12-3-1-4-17-6-14-9-10(13)16(5-2-8(18)19)7-15-11(9)17/h6-7,13H,1-2,4-5H2,(H,18,19)