[6-[(2-azanyl-6-phenylmethoxy-purin-9-yl)methyl]cyclohex-3-en-1-yl]methyl ethanoate

Systemtic Name: [6-[(2-azanyl-6-phenylmethoxy-purin-9-yl)methyl]cyclohex-3-en-1-yl]methyl ethanoate Openeye Name: [6-[(2-amino-6-benzyloxy-purin-9-yl)methyl]cyclohex-3-en-1-yl]methyl acetate CAS Name: acetic acid [6-[(2-amino-6-phenylmethoxy-9-purinyl)methyl]-1-cyclohex-3-enyl]methyl ester IUPAC Name: [6-[(2-amino-6-phenylmethoxypurin-9-yl)methyl]cyclohex-3-en-1-yl]methyl acetate Traditional Name: acetic acid [6-[(2-amino-6-benzoxy-purin-9-yl)methyl]cyclohex-3-en-1-yl]methyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC=CCC1CN2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N

Isomeric SMILES

CC(=O)OCC1CC=CCC1CN2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N

InChI

InChI=1S/C22H25N5O3/c1-15(28)29-13-18-10-6-5-9-17(18)11-27-14-24-19-20(27)25-22(23)26-21(19)30-12-16-7-3-2-4-8-16/h2-8,14,17-18H,9-13H2,1H3,(H2,23,25,26)