[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 4-ethylbenzoate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 4-ethylbenzoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C22H28N4O4 MolecularWeight: 412.48212

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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)CC)CCC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4/c1-4-7-13-26-19-18(20(27)24-22(26)29)25(12-5-2)17(23-19)14-30-21(28)16-10-8-15(6-3)9-11-16/h8-11H,4-7,12-14H2,1-3H3,(H,24,27,29)