[(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-butylbenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-butylbenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [(2R)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [(1R)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C19H21N5O3 MolecularWeight: 367.40174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=NC=NC3=C2NC=N3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C19H21N5O3/c1-3-4-5-13-6-8-14(9-7-13)19(26)27-12(2)18(25)24-17-15-16(21-10-20-15)22-11-23-17/h6-12H,3-5H2,1-2H3,(H2,20,21,22,23,24,25)/t12-/m1/s1