N-[2-(pyrimidin-2-ylamino)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[2-(pyrimidin-2-ylamino)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[2-(pyrimidin-2-ylamino)ethyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[2-(2-pyrimidinylamino)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[2-(pyrimidin-2-ylamino)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[2-(2-pyrimidylamino)ethyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NCCNC3=NC=CC=N3

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NCCNC3=NC=CC=N3

InChI

InChI=1S/C15H18N4OS/c20-14(12-10-21-13-5-2-1-4-11(12)13)16-8-9-19-15-17-6-3-7-18-15/h3,6-7,10H,1-2,4-5,8-9H2,(H,16,20)(H,17,18,19)