[(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 2-(4-ethylphenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(4-ethylphenyl)-4-methyl-5-thiazolecarboxylic 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] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-ethylphenyl)-4-methyl-thiazole-5-carboxylic acid [(1R)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C21H20N6O3S MolecularWeight: 436.4869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)O[C@H](C)C(=O)NC3=NC=NC4=C3NC=N4)C

InChI

InChI=1S/C21H20N6O3S/c1-4-13-5-7-14(8-6-13)20-26-11(2)16(31-20)21(29)30-12(3)19(28)27-18-15-17(23-9-22-15)24-10-25-18/h5-10,12H,4H2,1-3H3,(H2,22,23,24,25,27,28)/t12-/m1/s1