4-(6-chloranyl-2-phenylazanyl-purin-7-yl)butyl ethanoate

Systemtic Name: 4-(6-chloranyl-2-phenylazanyl-purin-7-yl)butyl ethanoate Openeye Name: 4-(2-anilino-6-chloro-purin-7-yl)butyl acetate CAS Name: acetic acid 4-(2-anilino-6-chloro-7-purinyl)butyl ester IUPAC Name: 4-(2-anilino-6-chloropurin-7-yl)butyl acetate Traditional Name: acetic acid 4-(2-anilino-6-chloro-purin-7-yl)butyl ester Formula: C17H18ClN5O2 MolecularWeight: 359.81012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCN1C=NC2=C1C(=NC(=N2)NC3=CC=CC=C3)Cl

Isomeric SMILES

CC(=O)OCCCCN1C=NC2=C1C(=NC(=N2)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C17H18ClN5O2/c1-12(24)25-10-6-5-9-23-11-19-16-14(23)15(18)21-17(22-16)20-13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,20,21,22)