ethyl 3-(6-chloranylpurin-9-yl)-2-(naphthalen-1-ylsulfonylamino)propanoate

Systemtic Name: ethyl 3-(6-chloranylpurin-9-yl)-2-(naphthalen-1-ylsulfonylamino)propanoate Openeye Name: ethyl 3-(6-chloropurin-9-yl)-2-(1-naphthylsulfonylamino)propanoate CAS Name: 3-(6-chloro-9-purinyl)-2-(1-naphthalenylsulfonylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(6-chloropurin-9-yl)-2-(naphthalen-1-ylsulfonylamino)propanoate Traditional Name: 3-(6-chloropurin-9-yl)-2-(1-naphthylsulfonylamino)propionic acid ethyl ester Formula: C20H18ClN5O4S MolecularWeight: 459.90602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CN1C=NC2=C1N=CN=C2Cl)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C(CN1C=NC2=C1N=CN=C2Cl)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C20H18ClN5O4S/c1-2-30-20(27)15(10-26-12-24-17-18(21)22-11-23-19(17)26)25-31(28,29)16-9-5-7-13-6-3-4-8-14(13)16/h3-9,11-12,15,25H,2,10H2,1H3