3-(2-azanylpurin-2-yl)propanoate; bicyclo[4.1.0]hepta-1,3,5-triene

Systemtic Name: 3-(2-azanylpurin-2-yl)propanoate; bicyclo[4.1.0]hepta-1,3,5-triene Openeye Name: 3-(2-aminopurin-2-yl)propanoate; bicyclo[4.1.0]hepta-1,3,5-triene CAS Name: 3-(2-amino-2-purinyl)propanoate; bicyclo[4.1.0]hepta-1,3,5-triene IUPAC Name: 3-(2-aminopurin-2-yl)propanoate; bicyclo[4.1.0]hepta-1,3,5-triene Traditional Name: 3-(2-aminopurin-2-yl)propionate; bicyclo[4.1.0]hepta-1,3,5-triene Formula: C15H14N5O2- MolecularWeight: 296.30396

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C21.C1=NC(N=C2C1=NC=N2)(CCC(=O)[O-])N

Isomeric SMILES

C1C2=CC=CC=C21.C1=NC(N=C2C1=NC=N2)(CCC(=O)[O-])N

InChI

InChI=1S/C8H9N5O2.C7H6/c9-8(2-1-6(14)15)12-3-5-7(13-8)11-4-10-5;1-2-4-7-5-6(7)3-1/h3-4H,1-2,9H2,(H,14,15);1-4H,5H2/p-1