[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3-(furan-2-ylcarbonylamino)propanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 3-(furan-2-carbonylamino)propanoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]propanoic 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-(furan-2-carbonylamino)propanoate Traditional Name: 3-(2-furoylamino)propionic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C21H27N5O6 MolecularWeight: 445.46898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCNC(=O)C3=CC=CO3)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCNC(=O)C3=CC=CO3)CCC

InChI

InChI=1S/C21H27N5O6/c1-3-5-11-26-18-17(20(29)24-21(26)30)25(10-4-2)15(23-18)13-32-16(27)8-9-22-19(28)14-7-6-12-31-14/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,22,28)(H,24,29,30)