5-[6-chloranyl-2-[methanoyl(phenyl)amino]purin-9-yl]pentyl ethanoate

Systemtic Name: 5-[6-chloranyl-2-[methanoyl(phenyl)amino]purin-9-yl]pentyl ethanoate Openeye Name: 5-[6-chloro-2-(N-formylanilino)purin-9-yl]pentyl acetate CAS Name: acetic acid 5-[6-chloro-2-(N-formylanilino)-9-purinyl]pentyl ester IUPAC Name: 5-[6-chloro-2-(N-formylanilino)purin-9-yl]pentyl acetate Traditional Name: acetic acid 5-[6-chloro-2-(N-formylanilino)purin-9-yl]pentyl ester Formula: C19H20ClN5O3 MolecularWeight: 401.8468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCCN1C=NC2=C1N=C(N=C2Cl)N(C=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OCCCCCN1C=NC2=C1N=C(N=C2Cl)N(C=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20ClN5O3/c1-14(27)28-11-7-3-6-10-24-12-21-16-17(20)22-19(23-18(16)24)25(13-26)15-8-4-2-5-9-15/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3