methyl 4-[[(2-chloranyl-7H-purin-6-yl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(2-chloranyl-7H-purin-6-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[(2-chloro-7H-purin-6-yl)amino]methyl]benzoate CAS Name: 4-[[(2-chloro-7H-purin-6-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-chloro-7H-purin-6-yl)amino]methyl]benzoate Traditional Name: 4-[[(2-chloro-7H-purin-6-yl)amino]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)CNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=NC(=NC3=C2NC=N3)Cl

InChI

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