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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C26H35N5O5 MolecularWeight: 497.5866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C(C(C)C)NC(=O)C3=CC(=CC=C3)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C(C(C)C)NC(=O)C3=CC(=CC=C3)C)CCC

InChI

InChI=1S/C26H35N5O5/c1-6-8-13-31-22-21(24(33)29-26(31)35)30(12-7-2)19(27-22)15-36-25(34)20(16(3)4)28-23(32)18-11-9-10-17(5)14-18/h9-11,14,16,20H,6-8,12-13,15H2,1-5H3,(H,28,32)(H,29,33,35)