[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 1-benzothiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C17H13N5O3S MolecularWeight: 367.38182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C17H13N5O3S/c1-9(16(23)22-15-13-14(19-7-18-13)20-8-21-15)25-17(24)12-6-10-4-2-3-5-11(10)26-12/h2-9H,1H3,(H2,18,19,20,21,22,23)