methyl 4-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]benzoate

Systemtic Name: methyl 4-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]benzoate Openeye Name: methyl 4-[(2-amino-6-chloro-purin-9-yl)methyl]benzoate CAS Name: 4-[(2-amino-6-chloro-9-purinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-amino-6-chloropurin-9-yl)methyl]benzoate Traditional Name: 4-[(2-amino-6-chloro-purin-9-yl)methyl]benzoic acid methyl ester Formula: C14H12ClN5O2 MolecularWeight: 317.73038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3Cl)N

InChI

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