ethyl 4-[3-(2-azanyl-6-chloranyl-purin-9-yl)propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(2-azanyl-6-chloranyl-purin-9-yl)propanoylamino]benzoate Openeye Name: ethyl 4-[3-(2-amino-6-chloro-purin-9-yl)propanoylamino]benzoate CAS Name: 4-[[3-(2-amino-6-chloro-9-purinyl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-amino-6-chloropurin-9-yl)propanoylamino]benzoate Traditional Name: 4-[3-(2-amino-6-chloro-purin-9-yl)propanoylamino]benzoic acid ethyl ester Formula: C17H17ClN6O3 MolecularWeight: 388.80828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C17H17ClN6O3/c1-2-27-16(26)10-3-5-11(6-4-10)21-12(25)7-8-24-9-20-13-14(18)22-17(19)23-15(13)24/h3-6,9H,2,7-8H2,1H3,(H,21,25)(H2,19,22,23)