[(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-furancarboxylic 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] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)furan-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C20H14N6O4S MolecularWeight: 434.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC=C(O3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC=C(O3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H14N6O4S/c1-10(18(27)26-17-15-16(22-8-21-15)23-9-24-17)29-20(28)13-7-6-12(30-13)19-25-11-4-2-3-5-14(11)31-19/h2-10H,1H3,(H2,21,22,23,24,26,27)/t10-/m0/s1