ethyl 2-[6-aminocarbonyl-2-(4-ethoxyphenyl)-8-oxidanylidene-9-(oxolan-2-ylmethyl)purin-7-yl]ethanoate

Systemtic Name: ethyl 2-[6-aminocarbonyl-2-(4-ethoxyphenyl)-8-oxidanylidene-9-(oxolan-2-ylmethyl)purin-7-yl]ethanoate Openeye Name: ethyl 2-[6-carbamoyl-2-(4-ethoxyphenyl)-8-oxo-9-(tetrahydrofuran-2-ylmethyl)purin-7-yl]acetate CAS Name: 2-[6-carbamoyl-2-(4-ethoxyphenyl)-8-oxo-9-(2-oxolanylmethyl)-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamoyl-2-(4-ethoxyphenyl)-8-oxo-9-(oxolan-2-ylmethyl)purin-7-yl]acetate Traditional Name: 2-[6-carbamoyl-8-keto-2-p-phenetyl-9-(tetrahydrofurfuryl)purin-7-yl]acetic acid ethyl ester Formula: C23H27N5O6 MolecularWeight: 469.49038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3CC(=O)OCC)CC4CCCO4)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3CC(=O)OCC)CC4CCCO4)C(=O)N

InChI

InChI=1S/C23H27N5O6/c1-3-32-15-9-7-14(8-10-15)21-25-18(20(24)30)19-22(26-21)28(12-16-6-5-11-34-16)23(31)27(19)13-17(29)33-4-2/h7-10,16H,3-6,11-13H2,1-2H3,(H2,24,30)