[(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] thieno[3,2-b][1]benzothiole-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] thieno[3,2-b][1]benzothiole-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] thieno[3,2-b]benzothiophene-2-carboxylate CAS Name: 2-thieno[3,2-b][1]benzothiolecarboxylic 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] thieno[3,2-b][1]benzothiole-2-carboxylate Traditional Name: thieno[3,2-b]benzothiophene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C19H13N5O3S2 MolecularWeight: 423.46822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC4=C(S3)C5=CC=CC=C5S4

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC4=C(S3)C5=CC=CC=C5S4

InChI

InChI=1S/C19H13N5O3S2/c1-9(18(25)24-17-14-16(21-7-20-14)22-8-23-17)27-19(26)13-6-12-15(29-13)10-4-2-3-5-11(10)28-12/h2-9H,1H3,(H2,20,21,22,23,24,25)/t9-/m0/s1