[2-[3-butyl-8-chloranyl-1-methyl-2,6-bis(oxidanylidene)purin-7-yl]carbonylphenyl] ethanoate

Systemtic Name: [2-[3-butyl-8-chloranyl-1-methyl-2,6-bis(oxidanylidene)purin-7-yl]carbonylphenyl] ethanoate Openeye Name: [2-(3-butyl-8-chloro-1-methyl-2,6-dioxo-purine-7-carbonyl)phenyl] acetate CAS Name: acetic acid [2-[(3-butyl-8-chloro-1-methyl-2,6-dioxo-7-purinyl)-oxomethyl]phenyl] ester IUPAC Name: [2-(3-butyl-8-chloro-1-methyl-2,6-dioxopurine-7-carbonyl)phenyl] acetate Traditional Name: acetic acid [2-(3-butyl-8-chloro-2,6-diketo-1-methyl-purine-7-carbonyl)phenyl] ester Formula: C19H19ClN4O5 MolecularWeight: 418.83096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)C(=O)C3=CC=CC=C3OC(=O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)C(=O)C3=CC=CC=C3OC(=O)C

InChI

InChI=1S/C19H19ClN4O5/c1-4-5-10-23-15-14(17(27)22(3)19(23)28)24(18(20)21-15)16(26)12-8-6-7-9-13(12)29-11(2)25/h6-9H,4-5,10H2,1-3H3