[(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(3-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic 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] 1-(3-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid [(1R)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C21H16ClN7O3S MolecularWeight: 481.91484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)O[C@H](C)C(=O)NC3=NC=NC4=C3NC=N4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C21H16ClN7O3S/c1-10-14-7-15(33-20(14)29(28-10)13-5-3-4-12(22)6-13)21(31)32-11(2)19(30)27-18-16-17(24-8-23-16)25-9-26-18/h3-9,11H,1-2H3,(H2,23,24,25,26,27,30)/t11-/m1/s1