O4-[[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[(3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[(3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl] ester O1-methyl ester IUPAC Name: 4-O-[(3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[(3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl] ester O1-methyl ester Formula: C22H26N4O6 MolecularWeight: 442.46504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O6/c1-4-6-12-26-18-17(19(27)24-22(26)30)25(11-5-2)16(23-18)13-32-21(29)15-9-7-14(8-10-15)20(28)31-3/h7-10H,4-6,11-13H2,1-3H3,(H,24,27,30)