[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl naphthalene-1-carboxylate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl naphthalene-1-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CC4=CC=CC=C43)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CC4=CC=CC=C43)CCC

InChI

InChI=1S/C24H26N4O4/c1-3-5-14-28-21-20(22(29)26-24(28)31)27(13-4-2)19(25-21)15-32-23(30)18-12-8-10-16-9-6-7-11-17(16)18/h6-12H,3-5,13-15H2,1-2H3,(H,26,29,31)