ethyl 4-[(2-chloranyl-9-pentan-3-yl-purin-6-yl)amino]benzoate

Systemtic Name: ethyl 4-[(2-chloranyl-9-pentan-3-yl-purin-6-yl)amino]benzoate Openeye Name: ethyl 4-[[2-chloro-9-(1-ethylpropyl)purin-6-yl]amino]benzoate CAS Name: 4-[(2-chloro-9-pentan-3-yl-6-purinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-9-pentan-3-ylpurin-6-yl)amino]benzoate Traditional Name: 4-[[2-chloro-9-(1-ethylpropyl)purin-6-yl]amino]benzoic acid ethyl ester Formula: C19H22ClN5O2 MolecularWeight: 387.86328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)C(=O)OCC)Cl

Isomeric SMILES

CCC(CC)N1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)C(=O)OCC)Cl

InChI

InChI=1S/C19H22ClN5O2/c1-4-14(5-2)25-11-21-15-16(23-19(20)24-17(15)25)22-13-9-7-12(8-10-13)18(26)27-6-3/h7-11,14H,4-6H2,1-3H3,(H,22,23,24)