ethyl 3-[(2-chloranyl-9-ethyl-purin-6-yl)amino]-2-methyl-benzoate

Systemtic Name: ethyl 3-[(2-chloranyl-9-ethyl-purin-6-yl)amino]-2-methyl-benzoate Openeye Name: ethyl 3-[(2-chloro-9-ethyl-purin-6-yl)amino]-2-methyl-benzoate CAS Name: 3-[(2-chloro-9-ethyl-6-purinyl)amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-chloro-9-ethylpurin-6-yl)amino]-2-methylbenzoate Traditional Name: 3-[(2-chloro-9-ethyl-purin-6-yl)amino]-2-methyl-benzoic acid ethyl ester Formula: C17H18ClN5O2 MolecularWeight: 359.81012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3C)C(=O)OCC)Cl

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3C)C(=O)OCC)Cl

InChI

InChI=1S/C17H18ClN5O2/c1-4-23-9-19-13-14(21-17(18)22-15(13)23)20-12-8-6-7-11(10(12)3)16(24)25-5-2/h6-9H,4-5H2,1-3H3,(H,20,21,22)