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

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4/c1-4-6-10-24-17-16(18(25)22-20(24)27)23(5-2)15(21-17)12-28-19(26)14-9-7-8-13(3)11-14/h7-9,11H,4-6,10,12H2,1-3H3,(H,22,25,27)