butyl 3-[6-[(phenylmethyl)amino]purin-9-yl]propanoate

Systemtic Name: butyl 3-[6-[(phenylmethyl)amino]purin-9-yl]propanoate Openeye Name: butyl 3-[6-(benzylamino)purin-9-yl]propanoate CAS Name: 3-[6-[(phenylmethyl)amino]-9-purinyl]propanoic acid butyl ester IUPAC Name: butyl 3-[6-(benzylamino)purin-9-yl]propanoate Traditional Name: 3-[6-(benzylamino)purin-9-yl]propionic acid butyl ester Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCN1C=NC2=C1N=CN=C2NCC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)CCN1C=NC2=C1N=CN=C2NCC3=CC=CC=C3

InChI

InChI=1S/C19H23N5O2/c1-2-3-11-26-16(25)9-10-24-14-23-17-18(21-13-22-19(17)24)20-12-15-7-5-4-6-8-15/h4-8,13-14H,2-3,9-12H2,1H3,(H,20,21,22)