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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl benzoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl benzoate CAS Name: benzoic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl benzoate Traditional Name: benzoic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4/c1-3-5-12-24-17-16(18(25)22-20(24)27)23(11-4-2)15(21-17)13-28-19(26)14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3,(H,22,25,27)