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

Systemtic Name: ethyl 4-[(9-butan-2-yl-2-chloranyl-purin-6-yl)amino]benzoate Openeye Name: ethyl 4-[(2-chloro-9-sec-butyl-purin-6-yl)amino]benzoate CAS Name: 4-[(9-butan-2-yl-2-chloro-6-purinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(9-butan-2-yl-2-chloropurin-6-yl)amino]benzoate Traditional Name: 4-[(2-chloro-9-sec-butyl-purin-6-yl)amino]benzoic acid ethyl ester Formula: C18H20ClN5O2 MolecularWeight: 373.8367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN5O2/c1-4-11(3)24-10-20-14-15(22-18(19)23-16(14)24)21-13-8-6-12(7-9-13)17(25)26-5-2/h6-11H,4-5H2,1-3H3,(H,21,22,23)