methyl 2-(6-chloranyl-2-phenylazanyl-purin-9-yl)ethanoate

Systemtic Name: methyl 2-(6-chloranyl-2-phenylazanyl-purin-9-yl)ethanoate Openeye Name: methyl 2-(2-anilino-6-chloro-purin-9-yl)acetate CAS Name: 2-(2-anilino-6-chloro-9-purinyl)acetic acid methyl ester IUPAC Name: methyl 2-(2-anilino-6-chloropurin-9-yl)acetate Traditional Name: 2-(2-anilino-6-chloro-purin-9-yl)acetic acid methyl ester Formula: C14H12ClN5O2 MolecularWeight: 317.73038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=NC2=C1N=C(N=C2Cl)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C=NC2=C1N=C(N=C2Cl)NC3=CC=CC=C3

InChI

InChI=1S/C14H12ClN5O2/c1-22-10(21)7-20-8-16-11-12(15)18-14(19-13(11)20)17-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,17,18,19)