methyl 4-(pyrimidin-2-ylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4-(pyrimidin-2-ylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-(pyrimidin-2-ylamino)benzothiophene-2-carboxylate CAS Name: 4-(2-pyrimidinylamino)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(pyrimidin-2-ylamino)-1-benzothiophene-2-carboxylate Traditional Name: 4-(2-pyrimidylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC=C2S1)NC3=NC=CC=N3

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC=C2S1)NC3=NC=CC=N3

InChI

InChI=1S/C14H11N3O2S/c1-19-13(18)12-8-9-10(4-2-5-11(9)20-12)17-14-15-6-3-7-16-14/h2-8H,1H3,(H,15,16,17)