ethyl 4-[2-(6-aminopurin-9-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(6-aminopurin-9-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(6-aminopurin-9-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(6-aminopurin-9-yl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-aminopurin-9-yl)acetyl]amino]benzoate Traditional Name: 4-[(2-adenin-9-ylacetyl)amino]benzoic acid ethyl ester Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2N=CN=C3N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C16H16N6O3/c1-2-25-16(24)10-3-5-11(6-4-10)21-12(23)7-22-9-20-13-14(17)18-8-19-15(13)22/h3-6,8-9H,2,7H2,1H3,(H,21,23)(H2,17,18,19)