2-[[2-[(4-butylphenyl)amino]-6-chloranyl-purin-9-yl]methoxy]ethyl ethanoate

Systemtic Name: 2-[[2-[(4-butylphenyl)amino]-6-chloranyl-purin-9-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[2-(4-butylanilino)-6-chloro-purin-9-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[2-(4-butylanilino)-6-chloro-9-purinyl]methoxy]ethyl ester IUPAC Name: 2-[[2-(4-butylanilino)-6-chloropurin-9-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[2-(4-butylanilino)-6-chloro-purin-9-yl]methoxy]ethyl ester Formula: C20H24ClN5O3 MolecularWeight: 417.88926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)Cl)N=CN3COCCOC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)Cl)N=CN3COCCOC(=O)C

InChI

InChI=1S/C20H24ClN5O3/c1-3-4-5-15-6-8-16(9-7-15)23-20-24-18(21)17-19(25-20)26(12-22-17)13-28-10-11-29-14(2)27/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,23,24,25)