6-[3-methyl-2,6-bis(oxidanylidene)-8-(phenylmethoxymethyl)-7H-purin-1-yl]hexan-2-yl ethanoate

Systemtic Name: 6-[3-methyl-2,6-bis(oxidanylidene)-8-(phenylmethoxymethyl)-7H-purin-1-yl]hexan-2-yl ethanoate Openeye Name: [5-[8-(benzyloxymethyl)-3-methyl-2,6-dioxo-7H-purin-1-yl]-1-methyl-pentyl] acetate CAS Name: acetic acid 6-[3-methyl-2,6-dioxo-8-(phenylmethoxymethyl)-7H-purin-1-yl]hexan-2-yl ester IUPAC Name: 6-[3-methyl-2,6-dioxo-8-(phenylmethoxymethyl)-7H-purin-1-yl]hexan-2-yl acetate Traditional Name: acetic acid [5-[8-(benzoxymethyl)-2,6-diketo-3-methyl-7H-purin-1-yl]-1-methyl-pentyl] ester Formula: C22H28N4O5 MolecularWeight: 428.48152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)COCC3=CC=CC=C3)N(C1=O)C)OC(=O)C

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)COCC3=CC=CC=C3)N(C1=O)C)OC(=O)C

InChI

InChI=1S/C22H28N4O5/c1-15(31-16(2)27)9-7-8-12-26-21(28)19-20(25(3)22(26)29)24-18(23-19)14-30-13-17-10-5-4-6-11-17/h4-6,10-11,15H,7-9,12-14H2,1-3H3,(H,23,24)