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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(4-fluorophenyl)ethanoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2-(4-fluorophenyl)acetate CAS Name: 2-(4-fluorophenyl)acetic 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-(4-fluorophenyl)acetate Traditional Name: 2-(4-fluorophenyl)acetic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C19H21FN4O4 MolecularWeight: 388.392843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C19H21FN4O4/c1-3-4-9-24-17-16(18(26)22-19(24)27)23(2)14(21-17)11-28-15(25)10-12-5-7-13(20)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,22,26,27)