tert-butyl 3-(2-benzamido-6-chloranyl-purin-9-yl)propanoate

Systemtic Name: tert-butyl 3-(2-benzamido-6-chloranyl-purin-9-yl)propanoate Openeye Name: tert-butyl 3-(2-benzamido-6-chloro-purin-9-yl)propanoate CAS Name: 3-(2-benzamido-6-chloro-9-purinyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-benzamido-6-chloropurin-9-yl)propanoate Traditional Name: 3-(2-benzamido-6-chloro-purin-9-yl)propionic acid tert-butyl ester Formula: C19H20ClN5O3 MolecularWeight: 401.8468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCN1C=NC2=C1N=C(N=C2Cl)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CCN1C=NC2=C1N=C(N=C2Cl)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20ClN5O3/c1-19(2,3)28-13(26)9-10-25-11-21-14-15(20)22-18(23-16(14)25)24-17(27)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,22,23,24,27)