[4-[2-[8-cyclopentyl-2,6-bis(oxidanylidene)-1-propyl-7H-purin-3-yl]ethyl]phenyl] ethanoate

Systemtic Name: [4-[2-[8-cyclopentyl-2,6-bis(oxidanylidene)-1-propyl-7H-purin-3-yl]ethyl]phenyl] ethanoate Openeye Name: [4-[2-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)ethyl]phenyl] acetate CAS Name: acetic acid [4-[2-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)ethyl]phenyl] ester IUPAC Name: [4-[2-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)ethyl]phenyl] acetate Traditional Name: acetic acid [4-[2-(8-cyclopentyl-2,6-diketo-1-propyl-7H-purin-3-yl)ethyl]phenyl] ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCC4=CC=C(C=C4)OC(=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCC4=CC=C(C=C4)OC(=O)C

InChI

InChI=1S/C23H28N4O4/c1-3-13-27-22(29)19-21(25-20(24-19)17-6-4-5-7-17)26(23(27)30)14-12-16-8-10-18(11-9-16)31-15(2)28/h8-11,17H,3-7,12-14H2,1-2H3,(H,24,25)