2-[(2-chloranyl-6-phenylazanyl-purin-9-yl)methoxy]ethyl ethanoate

Systemtic Name: 2-[(2-chloranyl-6-phenylazanyl-purin-9-yl)methoxy]ethyl ethanoate Openeye Name: 2-[(6-anilino-2-chloro-purin-9-yl)methoxy]ethyl acetate CAS Name: acetic acid 2-[(6-anilino-2-chloro-9-purinyl)methoxy]ethyl ester IUPAC Name: 2-[(6-anilino-2-chloropurin-9-yl)methoxy]ethyl acetate Traditional Name: acetic acid 2-[(6-anilino-2-chloro-purin-9-yl)methoxy]ethyl ester Formula: C16H16ClN5O3 MolecularWeight: 361.78294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOCN1C=NC2=C1N=C(N=C2NC3=CC=CC=C3)Cl

Isomeric SMILES

CC(=O)OCCOCN1C=NC2=C1N=C(N=C2NC3=CC=CC=C3)Cl

InChI

InChI=1S/C16H16ClN5O3/c1-11(23)25-8-7-24-10-22-9-18-13-14(20-16(17)21-15(13)22)19-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,19,20,21)