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

Systemtic Name: ethyl 2-[6-aminocarbonyl-8-oxidanylidene-9-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)purin-7-yl]ethanoate Openeye Name: ethyl 2-[6-carbamoyl-2-(4-isopropylphenyl)-8-oxo-9-(tetrahydrofuran-2-ylmethyl)purin-7-yl]acetate CAS Name: 2-[6-carbamoyl-8-oxo-9-(2-oxolanylmethyl)-2-(4-propan-2-ylphenyl)-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamoyl-8-oxo-9-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)purin-7-yl]acetate Traditional Name: 2-[6-carbamoyl-8-keto-2-p-cumenyl-9-(tetrahydrofurfuryl)purin-7-yl]acetic acid ethyl ester Formula: C24H29N5O5 MolecularWeight: 467.51756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(N=C(N=C2N(C1=O)CC3CCCO3)C4=CC=C(C=C4)C(C)C)C(=O)N

Isomeric SMILES

CCOC(=O)CN1C2=C(N=C(N=C2N(C1=O)CC3CCCO3)C4=CC=C(C=C4)C(C)C)C(=O)N

InChI

InChI=1S/C24H29N5O5/c1-4-33-18(30)13-28-20-19(21(25)31)26-22(16-9-7-15(8-10-16)14(2)3)27-23(20)29(24(28)32)12-17-6-5-11-34-17/h7-10,14,17H,4-6,11-13H2,1-3H3,(H2,25,31)