tert-butyl 3-(6-benzamidopurin-9-yl)propanoate

Systemtic Name: tert-butyl 3-(6-benzamidopurin-9-yl)propanoate Openeye Name: tert-butyl 3-(6-benzamidopurin-9-yl)propanoate CAS Name: 3-(6-benzamido-9-purinyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(6-benzamidopurin-9-yl)propanoate Traditional Name: 3-(6-benzamidopurin-9-yl)propionic acid tert-butyl ester Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCN1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CCN1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21N5O3/c1-19(2,3)27-14(25)9-10-24-12-22-15-16(20-11-21-17(15)24)23-18(26)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,20,21,23,26)