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

Systemtic Name: ethyl 2-[6-aminocarbonyl-2-(4-ethylphenyl)-8-oxidanylidene-9-(oxolan-2-ylmethyl)purin-7-yl]ethanoate Openeye Name: ethyl 2-[6-carbamoyl-2-(4-ethylphenyl)-8-oxo-9-(tetrahydrofuran-2-ylmethyl)purin-7-yl]acetate CAS Name: 2-[6-carbamoyl-2-(4-ethylphenyl)-8-oxo-9-(2-oxolanylmethyl)-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamoyl-2-(4-ethylphenyl)-8-oxo-9-(oxolan-2-ylmethyl)purin-7-yl]acetate Traditional Name: 2-[6-carbamoyl-2-(4-ethylphenyl)-8-keto-9-(tetrahydrofurfuryl)purin-7-yl]acetic acid ethyl ester Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3CC(=O)OCC)CC4CCCO4)C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3CC(=O)OCC)CC4CCCO4)C(=O)N

InChI

InChI=1S/C23H27N5O5/c1-3-14-7-9-15(10-8-14)21-25-18(20(24)30)19-22(26-21)28(12-16-6-5-11-33-16)23(31)27(19)13-17(29)32-4-2/h7-10,16H,3-6,11-13H2,1-2H3,(H2,24,30)