ethyl 4-[3-(6-methylpurin-9-yl)propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(6-methylpurin-9-yl)propanoylamino]benzoate Openeye Name: ethyl 4-[3-(6-methylpurin-9-yl)propanoylamino]benzoate CAS Name: 4-[[3-(6-methyl-9-purinyl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(6-methylpurin-9-yl)propanoylamino]benzoate Traditional Name: 4-[3-(6-methylpurin-9-yl)propanoylamino]benzoic acid ethyl ester Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(N=CN=C32)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(N=CN=C32)C

InChI

InChI=1S/C18H19N5O3/c1-3-26-18(25)13-4-6-14(7-5-13)22-15(24)8-9-23-11-21-16-12(2)19-10-20-17(16)23/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,24)