[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-propan-2-ylbenzoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-propan-2-ylbenzoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid (3-butyl-7-ethyl-2,6-diketo-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)C(C)C)CC

Isomeric SMILES

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

InChI

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