[(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 2,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid [(2S)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(2-thenyl)pyrrole-3-carboxylic acid [(1S)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C20H20N6O3S MolecularWeight: 424.4762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)O[C@@H](C)C(=O)NC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C20H20N6O3S/c1-11-7-15(12(2)26(11)8-14-5-4-6-30-14)20(28)29-13(3)19(27)25-18-16-17(22-9-21-16)23-10-24-18/h4-7,9-10,13H,8H2,1-3H3,(H2,21,22,23,24,25,27)/t13-/m0/s1