ethyl 4-[4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-6-yl]benzoate

Systemtic Name: ethyl 4-[4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-6-yl]benzoate Openeye Name: ethyl 4-[4,7,8-trimethyl-2-(2-morpholinoethyl)-1,3-dioxo-purino[7,8-a]imidazol-6-yl]benzoate CAS Name: 4-[4,7,8-trimethyl-2-[2-(4-morpholinyl)ethyl]-1,3-dioxo-6-purino[7,8-a]imidazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate Traditional Name: 4-[1,3-diketo-4,7,8-trimethyl-2-(2-morpholinoethyl)purin[7,8-a]imidazol-6-yl]benzoic acid ethyl ester Formula: C25H30N6O5 MolecularWeight: 494.5429

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CCN5CCOCC5)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CCN5CCOCC5)C)C

InChI

InChI=1S/C25H30N6O5/c1-5-36-23(33)18-6-8-19(9-7-18)30-16(2)17(3)31-20-21(26-24(30)31)27(4)25(34)29(22(20)32)11-10-28-12-14-35-15-13-28/h6-9H,5,10-15H2,1-4H3