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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-phenoxyethanoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=CC=CC=C3)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=CC=CC=C3)C

InChI

InChI=1S/C19H22N4O5/c1-3-4-10-23-17-16(18(25)21-19(23)26)22(2)14(20-17)11-28-15(24)12-27-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,21,25,26)