3-(6-chloranyl-2-phenylazanyl-purin-9-yl)propyl ethanoate

Systemtic Name: 3-(6-chloranyl-2-phenylazanyl-purin-9-yl)propyl ethanoate Openeye Name: 3-(2-anilino-6-chloro-purin-9-yl)propyl acetate CAS Name: acetic acid 3-(2-anilino-6-chloro-9-purinyl)propyl ester IUPAC Name: 3-(2-anilino-6-chloropurin-9-yl)propyl acetate Traditional Name: acetic acid 3-(2-anilino-6-chloro-purin-9-yl)propyl ester Formula: C16H16ClN5O2 MolecularWeight: 345.78354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCN1C=NC2=C1N=C(N=C2Cl)NC3=CC=CC=C3

Isomeric SMILES

CC(=O)OCCCN1C=NC2=C1N=C(N=C2Cl)NC3=CC=CC=C3

InChI

InChI=1S/C16H16ClN5O2/c1-11(23)24-9-5-8-22-10-18-13-14(17)20-16(21-15(13)22)19-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,19,20,21)