ethyl 2-[6-aminocarbonyl-2-(3-methylphenyl)-8-oxidanylidene-9-(oxolan-2-ylmethyl)purin-7-yl]ethanoate

Systemtic Name: ethyl 2-[6-aminocarbonyl-2-(3-methylphenyl)-8-oxidanylidene-9-(oxolan-2-ylmethyl)purin-7-yl]ethanoate Openeye Name: ethyl 2-[6-carbamoyl-2-(m-tolyl)-8-oxo-9-(tetrahydrofuran-2-ylmethyl)purin-7-yl]acetate CAS Name: 2-[6-carbamoyl-2-(3-methylphenyl)-8-oxo-9-(2-oxolanylmethyl)-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamoyl-2-(3-methylphenyl)-8-oxo-9-(oxolan-2-ylmethyl)purin-7-yl]acetate Traditional Name: 2-[6-carbamoyl-8-keto-2-(m-tolyl)-9-(tetrahydrofurfuryl)purin-7-yl]acetic acid ethyl ester Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O5/c1-3-31-16(28)12-26-18-17(19(23)29)24-20(14-7-4-6-13(2)10-14)25-21(18)27(22(26)30)11-15-8-5-9-32-15/h4,6-7,10,15H,3,5,8-9,11-12H2,1-2H3,(H2,23,29)