[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-[(2-methylphenyl)carbonylamino]ethanoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-[(2-methylphenyl)carbonylamino]ethanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-[(2-methylbenzoyl)amino]acetate CAS Name: 2-[[(2-methylphenyl)-oxomethyl]amino]acetic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-[(2-methylbenzoyl)amino]acetate Traditional Name: 2-(o-toluoylamino)acetic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C22H27N5O5 MolecularWeight: 441.48028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CNC(=O)C3=CC=CC=C3C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CNC(=O)C3=CC=CC=C3C)CC

InChI

InChI=1S/C22H27N5O5/c1-4-6-11-27-19-18(21(30)25-22(27)31)26(5-2)16(24-19)13-32-17(28)12-23-20(29)15-10-8-7-9-14(15)3/h7-10H,4-6,11-13H2,1-3H3,(H,23,29)(H,25,30,31)