[6-azanyl-9-(phenylmethyl)purin-8-yl] pentanoate

Systemtic Name: [6-azanyl-9-(phenylmethyl)purin-8-yl] pentanoate Openeye Name: (6-amino-9-benzyl-purin-8-yl) pentanoate CAS Name: pentanoic acid [6-amino-9-(phenylmethyl)-8-purinyl] ester IUPAC Name: (6-amino-9-benzylpurin-8-yl) pentanoate Traditional Name: valeric acid (6-amino-9-benzyl-purin-8-yl) ester Formula: C17H19N5O2 MolecularWeight: 325.36506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=NC2=C(N1CC3=CC=CC=C3)N=CN=C2N

Isomeric SMILES

CCCCC(=O)OC1=NC2=C(N1CC3=CC=CC=C3)N=CN=C2N

InChI

InChI=1S/C17H19N5O2/c1-2-3-9-13(23)24-17-21-14-15(18)19-11-20-16(14)22(17)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H2,18,19,20)