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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-methylsulfonylbenzoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic 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-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C20H24N4O6S MolecularWeight: 448.49276

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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)S(=O)(=O)C)CC

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O6S/c1-4-6-11-24-17-16(18(25)22-20(24)27)23(5-2)15(21-17)12-30-19(26)13-7-9-14(10-8-13)31(3,28)29/h7-10H,4-6,11-12H2,1-3H3,(H,22,25,27)